NP-MRD: Showing NP-Card for (6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (NP0195879)

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Record Information

Version

2.0

Created at

2022-09-04 13:49:45 UTC

Updated at

2022-09-04 13:49:45 UTC

NP-MRD ID

NP0195879

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Description

Cephamycin B belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position. (6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is found in Streptomyces griseus. Based on a literature review very few articles have been published on Cephamycin B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042215492D          

 40 42  0  0  1  0            999 V2000
   -5.5539   10.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9664    9.7302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5539    9.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9664    8.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7914    8.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2039    7.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.4414    8.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7289    9.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309042215492D          

 40 42  0  0  1  0            999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  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  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  2  0  0  0  0
 26 27  1  4  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 24 36  1  6  0  0  0
 36 37  1  0  0  0  0
 24 38  1  0  0  0  0
 38 21  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0195879

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO\C(=C/C1=CC=C(O)C=C1)C(=O)OCC1=C(N2[C@H](SC1)[C@](OC)(N=C(O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H29N3O11S/c1-37-17(10-13-6-8-15(29)9-7-13)22(35)39-11-14-12-40-24-25(38-2,23(36)28(24)19(14)21(33)34)27-18(30)5-3-4-16(26)20(31)32/h6-10,16,24,29H,3-5,11-12,26H2,1-2H3,(H,27,30)(H,31,32)(H,33,34)/b17-10-/t16-,24-,25+/m1/s1

> <INCHI_KEY>
BVOBPJWSXSKGOO-MYWSHXOVSA-N

> <FORMULA>
C25H29N3O11S

> <MOLECULAR_WEIGHT>
579.58

> <EXACT_MASS>
579.15227994

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
57.606395442554685

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R,7S)-7-{[(5R)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

> <JCHEM_LOGP>
-1.0585310975430682

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.5937094049538856

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6070758351234158

> <JCHEM_PKA_STRONGEST_BASIC>
9.692873863494597

> <JCHEM_POLAR_SURFACE_AREA>
218.51

> <JCHEM_REFRACTIVITY>
141.35819999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6R,7S)-7-{[(5R)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic 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     -10.367  19.497   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0     -11.137  18.163   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0     -10.367  16.829   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -11.137  15.496   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -12.677  15.496   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -13.447  14.162   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -14.987  14.162   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -15.757  15.496   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0     -17.297  15.496   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0     -14.987  16.829   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -13.447  16.829   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -8.827  16.829   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -8.057  18.163   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -8.057  15.496   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -6.517  15.496   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.747  14.162   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.207  14.162   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.437  15.496   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.897  15.496   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.207  16.829   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0      -3.437  12.828   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0      -2.104  12.058   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -0.616  12.457   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -2.874  10.725   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      -1.540   9.955   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0      -1.540   8.415   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.874   7.645   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -0.206   7.645   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.127   8.415   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.461   7.645   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.795   8.415   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0       3.795   9.955   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0       5.128   7.645   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       6.462   8.415   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.128   6.105   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -3.644   9.391   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -5.184   9.391   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -4.207  11.495   0.000  0.00  0.00           C+0
HETATM   39  S   UNK     0      -5.747  11.495   0.000  0.00  0.00           S+0
HETATM   40  C   UNK     0      -6.517  12.828   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   12                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10    5                                                       
CONECT   12    3   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   40                                                  
CONECT   17   16   18   21                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   17   22   38                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   36   38                                             
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   24   37                                                       
CONECT   37   36                                                            
CONECT   38   24   21   39                                                  
CONECT   39   38   40                                                       
CONECT   40   39   16                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₂₉N₃O₁₁S

Average Mass

579.5800 Da

Monoisotopic Mass

579.15228 Da

IUPAC Name

(6R,7S)-7-{[(5R)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Traditional Name

(6R,7S)-7-{[(5R)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CO\C(=C/C1=CC=C(O)C=C1)C(=O)OCC1=C(N2[C@H](SC1)[C@](OC)(N=C(O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O

InChI Identifier

InChI=1S/C25H29N3O11S/c1-37-17(10-13-6-8-15(29)9-7-13)22(35)39-11-14-12-40-24-25(38-2,23(36)28(24)19(14)21(33)34)27-18(30)5-3-4-16(26)20(31)32/h6-10,16,24,29H,3-5,11-12,26H2,1-2H3,(H,27,30)(H,31,32)(H,33,34)/b17-10-/t16-,24-,25+/m1/s1

InChI Key

BVOBPJWSXSKGOO-MYWSHXOVSA-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 griseus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactams

Sub Class

Beta lactams

Direct Parent

Cephalosporin 3'-esters

Alternative Parents

Substituents

Cephalosporin 3'-ester
Cephamycin
N-acyl-alpha amino acid or derivatives
Coumaric acid ester
Hydroxycinnamic acid or derivatives
Coumaric acid or derivatives
Cinnamic acid or derivatives
Enol-phenylpyruvate
Cinnamic acid ester
Alpha-amino acid
Alpha-amino acid or derivatives
D-alpha-amino acid
Tricarboxylic acid or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Fatty acid ester
Fatty amide
Meta-thiazine
N-acyl-amine
Benzenoid
Fatty acyl
Monocyclic benzene moiety
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Tertiary carboxylic acid amide
Azetidine
Amino acid or derivatives
Amino acid
Secondary carboxylic acid amide
Carboxylic acid ester
Carboxamide group
Azacycle
Dialkylthioether
Hemithioaminal
Carboxylic acid derivative
Thioether
Carboxylic acid
Amine
Organic oxide
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	-1.1	ChemAxon
pKa (Strongest Acidic)	1.61	ChemAxon
pKa (Strongest Basic)	9.69	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	218.51 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	141.36 m³·mol⁻¹	ChemAxon
Polarizability	57.61 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

5288572

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6912218

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-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (NP0195879)

MOL for NP0195879 ((6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3D MOL for NP0195879 ((6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3D SDF for NP0195879 ((6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3D-SDF for NP0195879 ((6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

PDB for NP0195879 ((6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3D PDB for NP0195879 ((6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

SMILES for NP0195879 ((6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

INCHI for NP0195879 ((6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

Structure for NP0195879 ((6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)

3D Structure for NP0195879 ((6r,7s)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-({[(2z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoyl]oxy}methyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid)