Basic information
- Standard SMILES
CC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3ccccc3)[C@H]2SC1- InChIKey
CIPQGGYPCPIDBB-WPZCJLIBSA-N- Molecular formula
- C16H16N2O4S
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 7-Phenylacetamido-3-methylceph-3-em-4-carboxylic acid
- IUPAC
- (6R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
SCHEMBL9397532SCHEMBL11761516CIPQGGYPCPIDBB-WPZCJLIBSA-N7-phenylacetamido-3-methylceph-3-em-4-carboxylic acid
Database identifiers
- PubChem CID
- 12895271
- Nikkaji
- J1.321.294E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 568
Related reactions
1 records
Compound notes
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