Basic information
- Standard SMILES
Cc1cc(SCC2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2)cc(=O)o1- InChIKey
XZPQWQJBUORGPI-KAODMTDESA-N- Molecular formula
- C35H30N2O6S2
- Average molar mass
- 638.8 g/mol
Names & identifiers
- Preferred name
- diphenylmethyl 3-(6-methyl-2-oxo-2H-pyran-4-ylthiomethyl)-7beta-phenylacetamidoceph-3-em-4-carboxylate
- IUPAC
- benzhydryl (6R,7R)-3-[(2-methyl-6-oxopyran-4-yl)sulfanylmethyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL9699504XZPQWQJBUORGPI-KAODMTDESA-Ndiphenylmethyl 3-(6-methyl-2-oxo-2H-pyran-4-ylthiomethyl)-7beta-phenylacetamidoceph-3-em-4-carboxylate
Database identifiers
- PubChem CID
- 67908899
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
1 records
Compound notes
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