NP-MRD: Showing NP-Card for (2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid (NP0211613)

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Record Information

Version

1.0

Created at

2022-09-05 09:58:31 UTC

Updated at

2022-09-05 09:58:31 UTC

NP-MRD ID

NP0211613

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid

Description

Ala-Ala-Ala, also known as a-a-a or L-ala-L-ala-L-ala, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Ala-Ala-Ala is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. (2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid is found in Trypanosoma brucei. It was first documented in 2020 (PMID: 34803251). Based on a literature review a significant number of articles have been published on Ala-Ala-Ala (PMID: 35700447) (PMID: 35133849) (PMID: 33181423) (PMID: 31790634).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 33 32  0  0  0  0  0  0  0  0999 V2000
    3.1229   -0.3197   -1.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0926    0.1362    0.4626 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1304    1.1236    0.6350 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9284    1.1579    0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    2.4962    0.9568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0705    0.1245    1.0908 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4728   -1.2405    1.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0283    0.1515   -0.0087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2734   -0.0760    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.3619    1.4347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1691   -0.0284   -1.0186 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2323    1.0180   -0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8585   -1.3169   -1.1114 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4806    0.7168    0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6238    1.9122    0.9865 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5537   -0.1328    0.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.2956   -1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7225    0.4023   -1.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5440   -1.3376   -1.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0556   -0.7398    1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0696    2.8651    0.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969    0.3985    2.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796   -1.2984    2.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0076   -1.6249    0.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704   -1.9739    1.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6673   -1.2799    1.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121    0.1635   -1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2060    0.7283   -1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9314    1.9797   -1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3911    1.1548    0.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1503   -2.1042   -1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4436   -1.3781   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6575   -1.0205    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 11 13  1  0
 11  9  1  0
  9 10  1  0
  9  8  2  0
  8  6  1  0
  6  7  1  0
  6  4  1  0
  4  5  1  0
  4  3  2  0
  3  2  1  0
  2  1  1  0
  2 14  1  0
 14 16  1  0
 14 15  2  0
 12 28  1  0
 12 29  1  0
 12 30  1  0
 11 27  1  6
 13 31  1  0
 13 32  1  0
 10 26  1  0
  6 22  1  1
  7 23  1  0
  7 24  1  0
  7 25  1  0
  5 21  1  0
  2 20  1  1
  1 17  1  0
  1 18  1  0
  1 19  1  0
 16 33  1  0
M  END


  Mrv1652309052211582D          

 16 15  0  0  1  0            999 V2000
    3.7125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  2  4  1  0  0  0  0
  4  5  1  4  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  4  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0211613

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1

> <INCHI_KEY>
BYXHQQCXAJARLQ-ZLUOBGJFSA-N

> <FORMULA>
C9H17N3O4

> <MOLECULAR_WEIGHT>
231.252

> <EXACT_MASS>
231.121906039

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
22.87141005372672

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid

> <JCHEM_LOGP>
-2.6674870553944285

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.959345910517942

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2925324673725913

> <JCHEM_PKA_STRONGEST_BASIC>
9.569646450826756

> <JCHEM_POLAR_SURFACE_AREA>
128.5

> <JCHEM_REFRACTIVITY>
56.13550000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       6.930  -1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.160   0.000   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       6.930   1.334   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       4.620   0.000   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.850  -1.334   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0       3.850   1.334   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.540   2.667   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.310  -1.334   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -2.667   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.310  -1.334   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.080  -2.667   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -3.080   0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

View in JSmol

Synonyms

Value	Source
a-a-a	ChEBI
AAA	ChEBI
L-Ala-L-ala-L-ala	ChEBI
Alanyl-alanyl-alanine, (D-ala-D-ala-D-ala)-isomer	MeSH
Alanyl-alanyl-alanine, (L-ala-L-ala-D-ala)-isomer	MeSH
Trialanine	MeSH
Alanyl-alanyl-alanine, (L-ala-D-ala-L-ala)-isomer	MeSH
Tri-L-alanine	MeSH
Alanyl-alanyl-alanine	MeSH

Chemical Formula

C₉H₁₇N₃O₄

Average Mass

231.2520 Da

Monoisotopic Mass

231.12191 Da

IUPAC Name

(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid

Traditional Name

(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid

CAS Registry Number

Not Available

SMILES

C[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(O)=O

InChI Identifier

InChI=1S/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1

InChI Key

BYXHQQCXAJARLQ-ZLUOBGJFSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Trypanosoma brucei	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alanine or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organopnictogen compound
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

tripeptide (CHEBI:73313 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-2.7	ChemAxon
pKa (Strongest Acidic)	3.29	ChemAxon
pKa (Strongest Basic)	9.57	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	128.5 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	56.14 m³·mol⁻¹	ChemAxon
Polarizability	22.87 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4585992

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5478845

PDB ID

Not Available

ChEBI ID

73313

Good Scents ID

Not Available

References

General References

Sherman SL, Fischer KC, Garand E: Conformational Changes Induced by Methyl Side-Chains in Protonated Tripeptides Containing Glycine and Alanine Residues. J Phys Chem A. 2022 Jun 30;126(25):4036-4045. doi: 10.1021/acs.jpca.2c02584. Epub 2022 Jun 14. [PubMed:35700447 ]
Wei H, Lin S, Liu W, Li Y, Li B, Yang Y: Stereostructure Dependence Phenomenon on the Self-Assembly of Ala-Ala-Ala Lipotripeptides. Langmuir. 2022 Feb 22;38(7):2248-2256. doi: 10.1021/acs.langmuir.1c02813. Epub 2022 Feb 8. [PubMed:35133849 ]
Alhobeira HA, Mandal RK, Khan S, Dar SA, Mahto H, Saeed M, Wahid M, Lohani M, Khan M, Haque S: Link between MnSOD Ala16Val (rs4880) polymorphism and asthma risk is insignificant from sequential meta-analysis. Bioinformation. 2020 Nov 30;16(11):789-800. doi: 10.6026/97320630016789. eCollection 2020. [PubMed:34803251 ]
Hernandez B, Pfluger F, Kruglik SG, Ghomi M: Multiconformational analysis of tripeptides upon consideration of implicit and explicit hydration effects. J Mol Graph Model. 2021 Jan;102:107790. doi: 10.1016/j.jmgm.2020.107790. Epub 2020 Oct 30. [PubMed:33181423 ]
Liu J, Yonekura M, Kouzuma Y: Purification, cDNA cloning and characterization of Kunitz-type protease inhibitors from Apios americana tubers. Biosci Biotechnol Biochem. 2020 Mar;84(3):563-574. doi: 10.1080/09168451.2019.1698281. Epub 2019 Dec 2. [PubMed:31790634 ]
LOTUS database [Link]

Showing NP-Card for (2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid (NP0211613)

MOL for NP0211613 ((2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid)

3D MOL for NP0211613 ((2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid)

3D SDF for NP0211613 ((2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid)

3D-SDF for NP0211613 ((2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid)

PDB for NP0211613 ((2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid)

3D PDB for NP0211613 ((2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid)

SMILES for NP0211613 ((2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid)

INCHI for NP0211613 ((2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid)

Structure for NP0211613 ((2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid)

3D Structure for NP0211613 ((2s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}propanoic acid)