Basic information
- CAS
35358-22-6- Standard SMILES
CO[C@@]1(NC(=O)[C@H](N)c2ccccc2)C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21- InChIKey
IPVHMXMIVFGMQQ-ROIUPPMCSA-N- Molecular formula
- C17H21N3O5S
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.12019195
Names & identifiers
- Preferred name
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-, [2S-[2I+/-,5I+/-,6I+/-,6(S*)]]-
- IUPAC
- (2S,5R,6S)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Names & synonyms
DTXSID40110183735358-22-64-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-, [2S-[2I+/-,5I+/-,6I+/-,6(S*)]]-
Database identifiers
- CAS
35358-22-6- PubChem CID
- 165366643
- DTXSID
DTXSID401101837
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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