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Basic information
- Standard SMILES
CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)[O-]- InChIKey
JGSARLDLIJGVTE-UHFFFAOYSA-M- Molecular formula
- C16H17N2O4S-
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.0909032
Names & identifiers
- Preferred name
- 3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- IUPAC
- 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Names & synonyms
3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateSTK177194AKOS000715052AKOS021983484CCG-103309NCGC00389455-013,3-DIMETHYL-7-OXO-6-(2-PHENYLACETAMIDO)-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE
Database identifiers
- PubChem CID
- 4729
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- -1
- Complexity
- 525
Related reactions
2 records
Compound notes
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