Basic information
- Standard SMILES
CCOC(=O)CN1Cc2ccccc2C[C@H](NC(=O)OCc2ccccc2)C1=O- InChIKey
GYNPDWDNDJGATB-IBGZPJMESA-N- Molecular formula
- C22H24N2O5
- Average molar mass
- 396.4 g/mol
Names & identifiers
- Preferred name
- (S)-1,3,4,5-tetrahydro-4-[[(phenylmethoxy)carbonyl]amino]-3-oxo-2H-2-benzazepine-2-acetic acid, ethyl ester
- IUPAC
- ethyl 2-[(4S)-3-oxo-4-(phenylmethoxycarbonylamino)-4,5-dihydro-1H-2-benzazepin-2-yl]acetate
Names & synonyms
GYNPDWDNDJGATB-IBGZPJMESA-N(S)-1,3,4,5-Tetrahydro-4-[[(phenylmethoxy)-carbonyl]amino]-3-oxo-2H-2-benzazepine-2-acetic acid, ethyl ester(S)-1,3,4,5-Tetrahydro-4-[[(phenylmethoxy)carbonyl]amino]-3-oxo-2 H-2-benzazepine-2-acetic acid, ethyl ester(S)-1,3,4,5-tetrahydro-4-[[(phenylmethoxy)carbonyl]amino]-3-oxo-2H-2-benzazepine-2-acetic acid, ethyl ester
Database identifiers
- PubChem CID
- 86749789
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
13 records
Linked notes
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