Basic information
- CAS
903505-30-6- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)OCCN- InChIKey
WXSAAMZDBNTDTA-IJEWVQPXSA-N- Molecular formula
- C18H23N3O4S
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.1409274
Names & identifiers
- Preferred name
- 2-Aminoethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- IUPAC
- 2-aminoethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Names & synonyms
DTXSID8011062532-Aminoethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate903505-30-6
Database identifiers
- CAS
903505-30-6- PubChem CID
- 165367191
- DTXSID
DTXSID801106253
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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