NP-MRD: Showing NP-Card for (5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (NP0179141)

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Record Information

Version

2.0

Created at

2022-09-03 17:16:39 UTC

Updated at

2022-09-03 17:16:39 UTC

NP-MRD ID

NP0179141

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Description

63701-32-6 Belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain. (5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is found in Streptomyces olivaceus. Based on a literature review very few articles have been published on 63701-32-6.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 40  0  0  0  0  0  0  0  0999 V2000
    6.2248    2.0022    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4845    0.6848    0.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0729   -0.4770    0.0705 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3326    0.7710    1.0593 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4459   -0.3646    1.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136    0.1223    1.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916   -1.2876    1.5063 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5515   -1.0453    0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673   -1.3175   -0.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3539   -1.9592   -1.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4609   -2.3389   -1.2515 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133   -2.1930   -3.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9546   -0.8983   -1.3014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1970   -0.7343   -1.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7561   -1.2312   -2.9643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5696    0.2510   -0.9229 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6671   -0.0558    0.0329 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6295    1.0174    1.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8836    0.1645   -0.6515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1880    0.2903   -0.4300 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8372   -0.4243    0.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2033    1.8481   -0.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5672    2.6237   -0.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2723    2.4955    1.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7622   -1.0479   -0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5569   -1.1675    0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161   -0.7389    2.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847    0.6286    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864    0.8996    2.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472   -1.9470   -3.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8068    1.2245   -1.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6256   -1.0538    0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5330    0.5760    2.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7938    1.7495    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5495    1.6302    1.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9564    1.1542   -0.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398    1.1425   -0.6673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7153    0.2403    1.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5688   -1.2338    0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 19  1  0
 17 16  1  0
 16 20  1  0
 20 21  1  0
 21  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  2  2  0
  2  1  1  0
  2  3  1  0
  8  9  2  0
  9 13  1  0
 13 14  1  0
 14 15  2  0
  9 10  1  0
 10 12  1  0
 10 11  2  0
 14 16  1  0
 13 20  1  0
 18 33  1  0
 18 34  1  0
 18 35  1  0
 17 32  1  1
 19 36  1  0
 16 31  1  6
 20 37  1  6
 21 38  1  0
 21 39  1  0
  6 28  1  0
  6 29  1  0
  5 26  1  0
  5 27  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
 12 30  1  0
M  END


  Mrv1652309032219162D          

 21 22  0  0  1  0            999 V2000
    4.4219   -1.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094   -0.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1844   -0.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4219   -0.0842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094    0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1844    0.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7719    1.3448    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620    0.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7169   -0.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1649   -0.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239   -0.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    0.9323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    0.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    1.7573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7310    2.3406    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5279    2.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5175    3.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    1.7573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4620    2.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  4  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 17 19  1  1  0  0  0
 16 20  1  0  0  0  0
 20 13  1  1  0  0  0
 20 21  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0179141

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H](O)[C@H]1[C@H]2CC(SCCN=C(C)O)=C(N2C1=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8-,10+/m1/s1

> <INCHI_KEY>
VUDXUIMGYZQRKK-YNEQXMIYSA-N

> <FORMULA>
C13H18N2O5S

> <MOLECULAR_WEIGHT>
314.36

> <EXACT_MASS>
314.093642862

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
31.81183756392572

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R,6R)-6-[(1R)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

> <JCHEM_LOGP>
-2.473697617492854

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.318522053301055

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6045569711034733

> <JCHEM_PKA_STRONGEST_BASIC>
6.155025035952374

> <JCHEM_POLAR_SURFACE_AREA>
110.42999999999999

> <JCHEM_REFRACTIVITY>
78.6764

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(5R,6R)-6-[(1R)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       8.254  -2.824   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.484  -1.491   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.944  -1.491   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       8.254  -0.157   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       7.484   1.177   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.944   1.177   0.000  0.00  0.00           C+0
HETATM    7  S   UNK     0       5.174   2.510   0.000  0.00  0.00           S+0
HETATM    8  C   UNK     0       3.634   2.510   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.729   1.264   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.205  -0.200   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.174  -1.345   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.711  -0.520   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0       1.264   1.740   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      -0.276   1.740   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.365   0.651   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -0.276   3.280   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.365   4.369   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.852   3.971   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.966   5.857   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.264   3.280   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.729   3.756   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   21                                                  
CONECT    9    8   10   13                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    9   14   20                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   20                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   16   13   21                                                  
CONECT   21   20    8                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₃H₁₈N₂O₅S

Average Mass

314.3600 Da

Monoisotopic Mass

314.09364 Da

IUPAC Name

(5R,6R)-6-[(1R)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Traditional Name

(5R,6R)-6-[(1R)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

C[C@@H](O)[C@H]1[C@H]2CC(SCCN=C(C)O)=C(N2C1=O)C(O)=O

InChI Identifier

InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8-,10+/m1/s1

InChI Key

VUDXUIMGYZQRKK-YNEQXMIYSA-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
Streptomyces olivaceus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactams

Sub Class

Beta lactams

Direct Parent

Thienamycins

Alternative Parents

Substituents

Thienamycin
Alpha-amino acid or derivatives
Pyrroline carboxylic acid
Pyrroline carboxylic acid or derivatives
Azepine
Vinylogous thioester
Acetamide
Tertiary carboxylic acid amide
Pyrroline
Azetidine
Carboxamide group
Thioenolether
Secondary carboxylic acid amide
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Azacycle
Sulfenyl compound
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Organic oxygen compound
Organic oxide
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	-2.5	ChemAxon
pKa (Strongest Acidic)	3.6	ChemAxon
pKa (Strongest Basic)	6.16	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	110.43 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	78.68 m³·mol⁻¹	ChemAxon
Polarizability	31.81 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

C00018325

Chemspider ID

2309979

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3047539

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (NP0179141)

MOL for NP0179141 ((5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

3D MOL for NP0179141 ((5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

3D SDF for NP0179141 ((5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

3D-SDF for NP0179141 ((5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

PDB for NP0179141 ((5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

3D PDB for NP0179141 ((5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

SMILES for NP0179141 ((5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

INCHI for NP0179141 ((5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

Structure for NP0179141 ((5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)

3D Structure for NP0179141 ((5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid)