Basic information
- Standard SMILES
C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)Cc3csc(N)n3)[C@H]2SC1- InChIKey
CXYBARTUIFRIAA-UIDYPRJRSA-N- Molecular formula
- C27H24N4O4S2
- Average molar mass
- 532.6 g/mol
Names & identifiers
- Preferred name
- Benzhydryl 7-[2-(2-aminothiazol-4-yl)acetamido]-3-vinyl-3-cephem-4-carboxylate
- IUPAC
- benzhydryl (6R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL9481784CXYBARTUIFRIAA-UIDYPRJRSA-Nbenzhydryl 7-[2-(2-aminothiazol-4-yl)acetamido]-3-vinyl-3-cephem-4-carboxylatebenzhydryl 7-[2-(2-aminothiazol-4yl)acetamido]-3-vinyl-3-cephem-4-carboxylate
Database identifiers
- PubChem CID
- 88469409
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 913
Related reactions
16 records
Compound notes
Loading…