Basic information
- Standard SMILES
CCON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(C(C)Sc3nnn[nH]3)CS[C@H]12)c1csc(NC(=O)CCl)n1- InChIKey
WUTHZLUWSUUEAE-IXRMZAABSA-N- Molecular formula
- C32H30ClN9O6S3
- Average molar mass
- 768.3 g/mol
- Monoisotopic mass
- 767.1169709
Names & identifiers
- Preferred name
- 7beta-{alpha-ethoxyimino-[2-(chloroacetamido)thiazol-4-yl]acetamido}-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid benzhydryl ester
- IUPAC
- benzhydryl (6R,7R)-7-[[2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-ethoxyiminoacetyl]amino]-8-oxo-3-[1-(2H-tetrazol-5-ylsulfanyl)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
WUTHZLUWSUUEAE-IXRMZAABSA-N7beta-{alpha-ethoxyimino-[2-(chloroacetamido)thiazol-4-yl]acetamido}-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid benzhydryl ester7beta{alpha-ethoxyimino-[2-(chloroacetamido)thiazol-4-yl]acetamido}-3-(1-methyl-1H-tetrazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid benzhydryl ester
Database identifiers
- PubChem CID
- 131711141
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 273 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 15
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
8 records
Compound notes
Loading…