Basic information
- Standard SMILES
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CC3CCC(=O)O3)CS[C@H]12- InChIKey
HFZYFDUTQKLVIM-ZXVOXEBXSA-N- Molecular formula
- C33H30N2O6S
- Average molar mass
- 582.7 g/mol
- Monoisotopic mass
- 582.18245785
Names & identifiers
- Preferred name
- Diphenylmethyl 3-[(5RS)-2-oxotetrahydrofuran-5-yl methyl]-7beta-phenylacetamidoceph-3-em-4-carboxylate
- IUPAC
- benzhydryl (6R,7R)-8-oxo-3-[(5-oxooxolan-2-yl)methyl]-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Names & synonyms
SCHEMBL9766215HFZYFDUTQKLVIM-ZXVOXEBXSA-NDiphenylmethyl 3-[(5RS)-2-oxotetrahydrofuran-5-yl methyl]-7beta-phenylacetamidoceph-3-em-4-carboxylate
Database identifiers
- PubChem CID
- 67923952
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
1 records
Compound notes
Loading…