Basic information
- Standard SMILES
COP(=O)(O)C1N2C(=O)C(NC(=O)C(C(=O)O)c3ccccc3)C2SC1(C)C- InChIKey
SKVNZYJHMYHJPC-UHFFFAOYSA-N- Molecular formula
- C17H21N2O7PS
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.08070918
Names & identifiers
- IUPAC
- 3-[[2-[hydroxy(methoxy)phosphoryl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-3-oxo-2-phenylpropanoic acid
Database identifiers
- PubChem CID
- 21389242
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 724
Related reactions
1 records
Compound notes
Loading…