NP-MRD: Showing NP-Card for (2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid (NP0206997)

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Record Information

Version

2.0

Created at

2022-09-05 03:26:27 UTC

Updated at

2022-09-05 03:26:27 UTC

NP-MRD ID

NP0206997

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid

Description

Hypoglycin B belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Hypoglycin B 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-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid is found in Blighia sapida. (2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid was first documented in 1972 (PMID: 5020320). Based on a literature review a small amount of articles have been published on hypoglycin B (PMID: 19653254) (PMID: 34977389) (PMID: 30685434) (PMID: 21410289).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 37  0  0  0  0  0  0  0  0999 V2000
   -4.3960    2.2757   -1.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2936    0.9629   -0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5034   -0.4383   -1.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7436   -0.1668   -0.0522 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2522   -0.2810   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6771    0.0250    1.3138 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2310   -0.0461    1.3295 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5755   -0.3875    0.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -0.7884   -0.8062 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0679   -0.3856    0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7658    0.5290   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2471    0.5980   -0.0947 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8079    1.5319   -1.0857 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9519   -0.6871   -0.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8332   -0.8419   -1.1395 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7157   -1.8005    0.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1797   -0.9262    2.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3513   -1.7132    2.8951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4732   -1.0075    2.7554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9697    2.9685   -0.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9303    2.6494   -1.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5343   -0.7952   -1.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -0.7621   -2.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3159   -0.2842    0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0254   -1.3356   -0.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8152    0.4125   -0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9595    1.0526    1.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455   -1.7727   -1.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3049   -0.0724    1.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346   -1.4218    0.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    1.5626   -0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    0.1844   -1.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5385    1.0275    0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6769    1.1711   -2.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.7765   -0.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3206   -2.0452    1.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7246   -0.7686    3.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  8  1  0
  8  9  1  0
  8  7  2  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
  6 17  1  0
 17 19  1  0
 17 18  2  0
 12 14  1  0
 14 16  1  0
 14 15  2  0
  2  4  1  0
 13 34  1  0
 13 35  1  0
 12 33  1  1
 11 31  1  0
 11 32  1  0
 10 29  1  0
 10 30  1  0
  9 28  1  0
  6 27  1  1
  5 25  1  0
  5 26  1  0
  4 24  1  1
  3 22  1  0
  3 23  1  0
  1 20  1  0
  1 21  1  0
 19 37  1  0
 16 36  1  0
M  END


  Mrv1652309052205262D          

 19 19  0  0  1  0            999 V2000
   -4.6993    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6993    4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1118    5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.1118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434    5.5243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.5243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    6.3493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.8743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.8743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  2  0  0  0  0
  8  9  1  4  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0206997

> <DATABASE_NAME>
NP-MRD

> <SMILES>
N[C@@H](CCC(O)=N[C@@H](CC1CC1=C)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)/t7?,8-,9-/m0/s1

> <INCHI_KEY>
UYDZYCPIQSRXKU-NPPUSCPJSA-N

> <FORMULA>
C12H18N2O5

> <MOLECULAR_WEIGHT>
270.285

> <EXACT_MASS>
270.121571688

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
27.090293589485725

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-4-{[(1S)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid

> <JCHEM_LOGP>
-2.2518493164497295

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.977962408398008

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8829226448789274

> <JCHEM_PKA_STRONGEST_BASIC>
9.536164896348602

> <JCHEM_POLAR_SURFACE_AREA>
133.21

> <JCHEM_REFRACTIVITY>
65.30430000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-amino-4-{[(1S)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-C-hydroxycarbonimidoyl}butanoic 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      -8.772   6.668   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.772   8.208   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.542   9.542   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.002   9.542   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.668  10.312   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.335   9.542   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -4.001  10.312   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -2.667   9.542   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.667   8.002   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.334  10.312   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.000   9.542   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  10.312   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       1.334  11.852   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       2.667   9.542   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.001  10.312   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       2.667   8.002   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -5.335   8.002   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -4.001   7.232   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -6.668   7.232   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2    4                                                       
CONECT    4    3    2    5                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   17                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    6   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

View in JSmol

Synonyms

Value	Source
L-gamma-Glutamyl-L-hypoglycin	ChEBI
L-g-Glutamyl-L-hypoglycin	Generator
L-Γ-glutamyl-L-hypoglycin	Generator

Chemical Formula

C₁₂H₁₈N₂O₅

Average Mass

270.2850 Da

Monoisotopic Mass

270.12157 Da

IUPAC Name

(2S)-2-amino-4-{[(1S)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid

Traditional Name

(2S)-2-amino-4-{[(1S)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-C-hydroxycarbonimidoyl}butanoic acid

CAS Registry Number

Not Available

SMILES

N[C@@H](CCC(O)=N[C@@H](CC1CC1=C)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C12H18N2O5/c1-6-4-7(6)5-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h7-9H,1-5,13H2,(H,14,15)(H,16,17)(H,18,19)/t7?,8-,9-/m0/s1

InChI Key

UYDZYCPIQSRXKU-NPPUSCPJSA-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
Blighia sapida	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Gamma-glutamyl alpha-amino acid
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Alpha-amino acid
Carbocyclic fatty acid
Fatty acyl
Dicarboxylic acid or derivatives
N-acyl-amine
Fatty amide
Amino acid
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxamide group
Carboxylic acid
Organopnictogen compound
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Carbonyl group
Primary amine
Hydrocarbon derivative
Amine
Organic oxygen compound
Organic oxide
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Not Available

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	-2.3	ChemAxon
pKa (Strongest Acidic)	1.88	ChemAxon
pKa (Strongest Basic)	9.54	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	133.21 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	65.3 m³·mol⁻¹	ChemAxon
Polarizability	27.09 Å³	ChemAxon
Number of Rings	1	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

C00001360

Chemspider ID

58827593

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Hypoglycin B

METLIN ID

Not Available

PubChem Compound

90658136

PDB ID

Not Available

ChEBI ID

136292

Good Scents ID

Not Available

References

General References

Bowen-Forbes CS, Minott DA: Structural characterization of hypoglycin B, a diastereomeric dipeptide from the ackee fruit (Blighia sapida Koenig) by NMR experiments. Magn Reson Chem. 2009 Nov;47(11):1004-6. doi: 10.1002/mrc.2497. [PubMed:19653254 ]
Gao J, Cheng B, Sun Y, Zhao Y, Zhao G: Effects of dietary inclusion with rapeseed cake containing high glucosinolates on nitrogen metabolism and urine nitrous oxide emissions in steers. Anim Nutr. 2022 Mar;8(1):204-215. doi: 10.1016/j.aninu.2021.05.006. Epub 2021 Sep 22. [PubMed:34977389 ]
Sinmisola A, Oluwasesan BM, Chukwuemeka AP: Blighia sapida K.D. Koenig: A review on its phytochemistry, pharmacological and nutritional properties. J Ethnopharmacol. 2019 May 10;235:446-459. doi: 10.1016/j.jep.2019.01.017. Epub 2019 Jan 24. [PubMed:30685434 ]
Bowen-Forbes CS, Minott DA: Tracking hypoglycins A and B over different maturity stages: implications for detoxification of ackee (Blighia sapida K.D. Koenig) fruits. J Agric Food Chem. 2011 Apr 27;59(8):3869-75. doi: 10.1021/jf104623c. Epub 2011 Apr 4. [PubMed:21410289 ]
Persaud TV: Effect of intra-amniotic administration of hypoglycin B on foetal development in the rat. Exp Pathol (Jena). 1972;6(1):55-8. [PubMed:5020320 ]
LOTUS database [Link]

Showing NP-Card for (2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid (NP0206997)

MOL for NP0206997 ((2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D MOL for NP0206997 ((2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D SDF for NP0206997 ((2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D-SDF for NP0206997 ((2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

PDB for NP0206997 ((2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D PDB for NP0206997 ((2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

SMILES for NP0206997 ((2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

INCHI for NP0206997 ((2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

Structure for NP0206997 ((2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)

3D Structure for NP0206997 ((2s)-2-amino-4-{[(1s)-1-carboxy-2-(2-methylidenecyclopropyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid)