(6R,7R)-7-(((2S)-2-(((4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

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Basic information

CAS: 951322-14-8
Standard SMILES: CCN1CCN(C(=O)N[C@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O
InChIKey: GCFBRXLSHGKWDP-WJONJSRFSA-N
Molecular formula: C25H27N9O8S2
Average molar mass: 645.7 g/mol
Monoisotopic mass: 645.1424012

Names & identifiers

Preferred name: (6R,7R)-7-(((2S)-2-(((4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
IUPAC: (6R,7R)-7-[[(2S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Names & synonyms

951322-14-8(6R,7R)-7-[[(2S)-2-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-(((2S)-2-(((4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:209809cefoperazone-impCefoperazone Impurity LDTXSID901098326EBC-12289AKOS015960748AC-12103AC-32035EN300-27150438

Show more names

Q63393137(6R,7R)-7-((S)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-[(2S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Database identifiers

CAS: 951322-14-8
PubChem CID: 7048632
DTXSID: DTXSID901098326

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 271 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 13
Rotatable bonds: 9
Heavy atoms: 44
Formal charge: 0
Complexity: 1,250

Experimental & physicochemical properties

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Compound notes

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