Basic information
- Standard SMILES
C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(=NOCC(=O)OCc3ccccc3)C(=O)CBr)[C@H]2SC1- InChIKey
REWTVACDPTVIFX-VWERDZHISA-N- Molecular formula
- C35H30BrN3O8S
- Average molar mass
- 732.6 g/mol
- Monoisotopic mass
- 731.0937
Names & identifiers
- Preferred name
- Benzhydryl 7-(2-benzyloxycarbonylmethoxyimino-4-bromo-3-oxobutyramido)-3-vinyl-3-cephem-4-carboxylate
- IUPAC
- benzhydryl (6R)-7-[[4-bromo-3-oxo-2-(2-oxo-2-phenylmethoxyethoxy)iminobutanoyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
REWTVACDPTVIFX-VWERDZHISA-Nbenzhydryl 7-(2-benzyloxycarbonylmethoxyimino-4-bromo-3-oxobutyramido)-3-vinyl-3-cephem-4-carboxylate
Database identifiers
- PubChem CID
- 131713331
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 16
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
11 records
Compound notes
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