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Basic information
- Standard SMILES
CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)[O-]- InChIKey
AVKUERGKIZMTKX-UHFFFAOYSA-M- Molecular formula
- C16H18N3O4S-
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.10180224
Names & identifiers
- Preferred name
- 6-{[Amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- IUPAC
- 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Names & synonyms
6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSTK177241AKOS005410701
Database identifiers
- PubChem CID
- 2173
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- -1
- Complexity
- 556
Related reactions
1 records
Compound notes
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