Basic information
- Standard SMILES
CO[C@@]1(NC(=O)[C@H](O)c2ccccc2)C(=O)N2C(C(=O)O)=C(C(CCS(N)(=O)=O)Sc3nnn[nH]3)CS[C@@H]21- InChIKey
VMICRKCSTGQXDE-DYZYDABHSA-N- Molecular formula
- C20H23N7O8S3
- Average molar mass
- 585.6 g/mol
- Monoisotopic mass
- 585.07702424
Names & identifiers
- Preferred name
- 7beta-D-Mandelamido-7alpha-methoxy-3-[1-(2-sulfamoylethyl)tetrazol-5-ylthiomethyl]-3-cephem-4-carboxylic acid
- IUPAC
- (6R,7S)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-7-methoxy-8-oxo-3-[3-sulfamoyl-1-(2H-tetrazol-5-ylsulfanyl)propyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
VMICRKCSTGQXDE-DYZYDABHSA-N7beta-D-Mandelamido-7alpha-methoxy-3-[1-(2-sulfamoylethyl)tetrazol-5-ylthiomethyl]-3-cephem-4-carboxylic acid
Database identifiers
- PubChem CID
- 131710893
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 290 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
6 records
Compound notes
Loading…