Basic information
- Standard SMILES
CC1C(=O)N(C(=O)[C@H](C)NC(=O)[C@](C)(O)c2ccccc2)c2cccc(N)c2-c2ccccc21- InChIKey
XXENRQCUTPHICS-LQHOODPOSA-N- Molecular formula
- C27H27N3O4
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.20015635
Names & identifiers
- Preferred name
- 5-{N'-((R)-(-)-2-hydroxy-2-phenylpropionyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one
- IUPAC
- (2R)-N-[(2S)-1-(1-amino-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)-1-oxopropan-2-yl]-2-hydroxy-2-phenylpropanamide
Names & synonyms
XXENRQCUTPHICS-LQHOODPOSA-N5-{N'-((R)-(-)-2-hydroxy-2-phenylpropionyl)-L-alaninyl}-amino-7-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one
Database identifiers
- PubChem CID
- 86600403
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 782
Related reactions
1 records
Compound notes
Loading…