NP-MRD: Showing NP-Card for (6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (NP0312132)

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Record Information

Version

2.0

Created at

2022-09-11 08:39:34 UTC

Updated at

2022-09-11 08:39:34 UTC

NP-MRD ID

NP0312132

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Description

(6R,7S)-7-{[(5S)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]Oct-2-ene-2-carboxylic acid belongs to the class of organic compounds known as cephalosporins. Cephalosporins are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]Oct-2-ene-2-carboxylic acid moiety or a derivative thereof. (6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is found in Sarocladium strictum. Based on a literature review very few articles have been published on (6R,7S)-7-{[(5S)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]Oct-2-ene-2-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
    5.6626    0.8951   -1.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2691    0.5477   -0.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9594    0.0375    0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9818   -0.1512    1.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1612    0.1602    1.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7064   -0.6589    2.6174 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6240   -0.3076    0.6856 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696   -0.1871    1.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4342    0.1108    2.8488 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6164   -0.5759    0.5590 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2805   -1.6391    0.8929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4494   -1.5401    1.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1502   -2.7151    1.6359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1181   -0.2562    1.7253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4141   -0.0926    0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774   -0.0958   -0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4794    0.0485   -1.2767 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2134    0.0340   -2.7213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1972    1.2824   -0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6868    1.5721    0.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3764    2.2397   -1.9504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8178   -1.1239   -0.1781 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0132   -0.5556   -1.8678 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2156    0.7924   -1.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774    1.7309   -0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3362    0.0050   -1.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7048    1.2843   -2.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5824   -0.0383    3.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1015    0.2471    0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251   -3.3417    2.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273   -0.2879    2.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4556    0.6136    1.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0611   -0.9331    1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8847    0.8308    1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4513    0.6639   -0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7695   -1.1044   -0.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1390   -0.8133   -1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9081   -0.9576   -2.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3416    0.6141   -2.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4036    3.2353   -1.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9515   -2.2233   -0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    0.8953   -2.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    1.7579   -1.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  7  1  0
  7 22  1  0
 22 23  1  0
 23 24  1  0
 22 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 21  1  0
 19 20  2  0
 10  8  1  0
  8  9  2  0
  3  4  1  0
  4  6  1  0
  4  5  2  0
 24  2  1  0
  8  7  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 22 41  1  6
 24 42  1  0
 24 43  1  0
 10 29  1  6
 13 30  1  0
 14 31  1  0
 14 32  1  0
 15 33  1  0
 15 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  6
 18 38  1  0
 18 39  1  0
 21 40  1  0
  6 28  1  0
M  END


  Mrv1652309112210392D          

 24 25  0  0  1  0            999 V2000
   -3.0906    5.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937    5.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103    6.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239    7.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3405    7.5864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7207    7.2166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9134    5.9926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1166    6.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2959    6.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970    5.4093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8114    4.9968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114    4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970    3.7593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5259    3.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404    4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9549    3.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6693    4.1718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6693    4.9968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3838    3.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0983    4.1718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3838    2.9343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6999    5.1957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2833    4.6124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0802    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  4  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 10 22  1  0  0  0  0
 22  7  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0312132

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C(N2[C@H](SC1)[C@@H](N=C(O)CCC[C@H](N)C(O)=O)C2=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12+/m0/s1

> <INCHI_KEY>
NNQIJOYQWYKBOW-QOSJWCAFSA-N

> <FORMULA>
C14H19N3O6S

> <MOLECULAR_WEIGHT>
357.38

> <EXACT_MASS>
357.099456518

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
35.58851946619108

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R,7S)-7-{[(5S)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

> <JCHEM_LOGP>
-2.684551339256296

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.7832763189216636

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8288397945983275

> <JCHEM_PKA_STRONGEST_BASIC>
9.526860574783841

> <JCHEM_POLAR_SURFACE_AREA>
153.51999999999998

> <JCHEM_REFRACTIVITY>
85.02269999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(6R,7S)-7-{[(5S)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.769  10.894   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.282  10.496   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.193  11.585   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.591  13.072   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -2.502  14.161   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -5.079  13.471   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      -1.705  11.186   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -0.218  11.585   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.552  12.919   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.181  10.097   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       1.515   9.327   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       1.515   7.787   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.181   7.017   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.848   7.017   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.182   7.787   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.516   7.017   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.849   7.787   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       6.849   9.327   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       8.183   7.017   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       9.517   7.787   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       8.183   5.477   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -1.307   9.699   0.000  0.00  0.00           C+0
HETATM   23  S   UNK     0      -2.395   8.610   0.000  0.00  0.00           S+0
HETATM   24  C   UNK     0      -3.883   9.008   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   24                                                  
CONECT    3    2    4    7                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    3    8   22                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   22                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   10    7   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23    2                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Value	Source
(6R,7S)-7-{[(5S)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate	Generator

Chemical Formula

C₁₄H₁₉N₃O₆S

Average Mass

357.3800 Da

Monoisotopic Mass

357.09946 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1=C(N2[C@H](SC1)[C@@H](N=C(O)CCC[C@H](N)C(O)=O)C2=O)C(O)=O

InChI Identifier

InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12+/m0/s1

InChI Key

NNQIJOYQWYKBOW-QOSJWCAFSA-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
Acremonium strictum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cephalosporins. Cephalosporins are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]Oct-2-ene-2-carboxylic acid moiety or a derivative thereof.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactams

Sub Class

Beta lactams

Direct Parent

Cephalosporins

Alternative Parents

Substituents

Cephalosporin
N-acyl-alpha amino acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
L-alpha-amino acid
Medium-chain fatty acid
Heterocyclic fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Fatty amide
Meta-thiazine
N-acyl-amine
Tertiary carboxylic acid amide
Amino acid or derivatives
Azetidine
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Thioether
Carboxylic acid derivative
Hemithioaminal
Dialkylthioether
Azacycle
Carboxylic acid
Amine
Organic oxide
Primary aliphatic amine
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Primary amine
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

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

92449058

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (NP0312132)

MOL for NP0312132 ((6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3D MOL for NP0312132 ((6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3D SDF for NP0312132 ((6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3D-SDF for NP0312132 ((6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

PDB for NP0312132 ((6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3D PDB for NP0312132 ((6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

SMILES for NP0312132 ((6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

INCHI for NP0312132 ((6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

Structure for NP0312132 ((6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3D Structure for NP0312132 ((6r,7s)-7-{[(5s)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)