cis-1-Benzyl-2-oxo-5-phenyl-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-propionic acid
Basic information
- Standard SMILES
O=C(O)CC[C@H]1O[C@@H](c2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O- InChIKey
OMNBNXKHTXVEAY-VWNXMTODSA-N- Molecular formula
- C25H23NO4
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- cis-1-Benzyl-2-oxo-5-phenyl-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-propionic acid
- IUPAC
- 3-[(3R,5S)-1-benzyl-2-oxo-5-phenyl-5H-4,1-benzoxazepin-3-yl]propanoic acid
Names & synonyms
SCHEMBL6953470OMNBNXKHTXVEAY-VWNXMTODSA-Ncis-1-benzyl-2-oxo-5-phenyl-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-propionic acid
Database identifiers
- PubChem CID
- 69945752
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 582
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Related reactions
2 records
Compound notes
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