(6R,7R)-7-[[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

CAS: 68779-10-2

Molecular Formula	`C25H27N9O8S2`
Molecular Weight	645.7 g/mol
LogP	-0.7
Topological Polar Surface Area	271.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	9
Exact Mass	645.1424
Heavy Atoms	44
Complexity	1250.0

Chemical Identifiers

CAS Number	68779-10-2
SMILES	`CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O`
InChIKey	`GCFBRXLSHGKWDP-WTKTZPJXSA-N`

📖 Product Overview

(6R,7R)-7-[[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 (CAS: 68779-10-2) is a chemical compound with molecular formula C25H27N9O8S2 and molecular weight 645.7 g/mol. Its IUPAC systematic name is (6R,7R)-7-[[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. LogP -0.7 Topological Polar Surface Area 271.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 13 Rotatable Bonds 9 Exact Mass 645.1424 Heavy Atoms 44 Complexity 1250.0 InChI Key: GCFBRXLSHGKWDP-WTKTZPJXSA-N. SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (6R,7R)-7-[[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.

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