NP-MRD: Showing NP-Card for (2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid (NP0192582)

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Record Information

Version

2.0

Created at

2022-09-04 09:49:54 UTC

Updated at

2022-09-04 09:49:54 UTC

NP-MRD ID

NP0192582

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid

Description

Bacilysin, also known as bacillin or tetaine, 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. (2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid was first documented in 2022 (PMID: 35938811). Based on a literature review a small amount of articles have been published on Bacilysin (PMID: 35935203) (PMID: 35913211) (PMID: 35901454) (PMID: 35805288).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 38  0  0  0  0  0  0  0  0999 V2000
    3.3127    1.5332   -0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0318    0.0498   -0.3823 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2714   -0.5838   -0.7801 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9453   -0.1631   -1.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1510    0.2866   -2.6643 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8206   -0.7183   -1.1157 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3867   -1.2490    0.1335 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1062   -1.3790    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -0.0496    0.1022 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2993   -0.3417    0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1366    0.8988    0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3925    2.0923    0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8669    3.1905    0.5327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0831    2.0308    1.4707 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9253    2.1734    0.7367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3187    0.8505    1.2046 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9624   -2.6086    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220   -3.2861    1.3261 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760   -3.1602   -0.6820 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8252    1.7660    0.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0350    1.8387   -1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    2.1558   -0.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368   -0.3193    0.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3098   -0.8066   -1.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1148   -0.1411   -0.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8170    1.2473   -2.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7387   -0.5624    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382   -2.0968   -0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348   -1.8404    1.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6534    0.3791   -0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4325   -1.0391    1.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6142   -0.8858   -0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9104    0.6947    1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7363    1.0708   -0.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0618    2.4664    2.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    0.4367    2.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4405   -3.9307   -1.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
  7 17  1  0
 17 19  1  0
 17 18  2  0
 16  9  1  0
 16 14  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  1
  3 24  1  0
  3 25  1  0
  5 26  1  0
  7 27  1  1
  8 28  1  0
  8 29  1  0
  9 30  1  6
 10 31  1  0
 10 32  1  0
 11 33  1  0
 11 34  1  0
 14 35  1  1
 16 36  1  1
 19 37  1  0
M  END


  Mrv1652309042211492D          

 19 20  0  0  1  0            999 V2000
    3.3342    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9053    4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6197    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3342    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3342    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1908    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1908    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4763    2.4750    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
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 16 15  1  6  0  0  0
  9 16  1  0  0  0  0
 14 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0192582

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](N)C(O)=N[C@@H](C[C@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6+,7-,9+,10-/m0/s1

> <INCHI_KEY>
XFOUAXMJRHNTOP-ZABDLSDTSA-N

> <FORMULA>
C12H18N2O5

> <MOLECULAR_WEIGHT>
270.285

> <EXACT_MASS>
270.121571688

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
26.900465208712138

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2-amino-1-hydroxypropylidene)amino]-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid

> <JCHEM_LOGP>
-2.6138023800390013

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.069318649417562

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2310832694917475

> <JCHEM_PKA_STRONGEST_BASIC>
9.36963994890116

> <JCHEM_POLAR_SURFACE_AREA>
125.51

> <JCHEM_REFRACTIVITY>
63.89880000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2-amino-1-hydroxypropylidene)amino]-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       6.224   9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.890   8.470   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       3.556   9.240   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       4.890   6.930   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.224   6.160   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0       3.556   6.160   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       3.556   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.890   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.890   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.224   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.224   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.890  -0.770   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.890  -2.310   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.556   0.000   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.223   0.770   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.556   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.223   3.850   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.223   2.310   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.889   4.620   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   17                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14   16                                                       
CONECT   16   15    9   14                                                  
CONECT   17    7   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END

View in JSmol

Synonyms

Value	Source
Bacillin	MeSH
Ala-(2,3-epoxycyclohexanone-4)-ala	MeSH
Tetaine	MeSH

Chemical Formula

C₁₂H₁₈N₂O₅

Average Mass

270.2850 Da

Monoisotopic Mass

270.12157 Da

IUPAC Name

2-[(2-amino-1-hydroxypropylidene)amino]-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid

Traditional Name

2-[(2-amino-1-hydroxypropylidene)amino]-3-[(1R,2R,6R)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid

CAS Registry Number

Not Available

SMILES

C[C@H](N)C(O)=N[C@@H](C[C@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O

InChI Identifier

InChI=1S/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6+,7-,9+,10-/m0/s1

InChI Key

XFOUAXMJRHNTOP-ZABDLSDTSA-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

Not Available

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
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
Alpha-amino acid or derivatives
Carbocyclic fatty acid
Oxepane
Fatty acyl
Amino acid or derivatives
Amino acid
Carboxamide group
Ketone
Secondary carboxylic acid amide
Oxacycle
Carboxylic acid
Dialkyl ether
Oxirane
Ether
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Amine
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Primary aliphatic amine
Carbonyl group
Primary amine
Organooxygen compound
Organonitrogen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	-2.6	ChemAxon
pKa (Strongest Acidic)	3.23	ChemAxon
pKa (Strongest Basic)	9.37	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	125.51 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	63.9 m³·mol⁻¹	ChemAxon
Polarizability	26.9 Å³	ChemAxon
Number of Rings	2	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

C00018024

Chemspider ID

9076928

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10901668

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Erega A, Stefanic P, Danevcic T, Smole Mozina S, Mandic Mulec I: Impact of Bacillus subtilis Antibiotic Bacilysin and Campylobacter jejuni Efflux Pumps on Pathogen Survival in Mixed Biofilms. Microbiol Spectr. 2022 Aug 31;10(4):e0215622. doi: 10.1128/spectrum.02156-22. Epub 2022 Aug 8. [PubMed:35938811 ]
Li P, Feng B, Yao Z, Wei B, Zhao Y, Shi S: Antifungal Activity of Endophytic Bacillus K1 Against Botrytis cinerea. Front Microbiol. 2022 Jul 22;13:935675. doi: 10.3389/fmicb.2022.935675. eCollection 2022. [PubMed:35935203 ]
Ahmed W, Dai Z, Zhang J, Li S, Ahmed A, Munir S, Liu Q, Tan Y, Ji G, Zhao Z: Plant-Microbe Interaction: Mining the Impact of Native Bacillus amyloliquefaciens WS-10 on Tobacco Bacterial Wilt Disease and Rhizosphere Microbial Communities. Microbiol Spectr. 2022 Aug 31;10(4):e0147122. doi: 10.1128/spectrum.01471-22. Epub 2022 Aug 1. [PubMed:35913211 ]
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LOTUS database [Link]

Showing NP-Card for (2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid (NP0192582)

MOL for NP0192582 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid)

3D MOL for NP0192582 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid)

3D SDF for NP0192582 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid)

3D-SDF for NP0192582 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid)

PDB for NP0192582 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid)

3D PDB for NP0192582 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid)

SMILES for NP0192582 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid)

INCHI for NP0192582 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid)

Structure for NP0192582 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid)

3D Structure for NP0192582 ((2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-[(1r,2r,6r)-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]propanoic acid)