(S)-1,3,4,5-tetrahydro-4-[[(phenylmethoxy)carbonyl]amino]-3-oxo-2H-2-benzazepine-2-acetic acid, ethyl ester

HCID 86749789

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

Related reactions

13 records

Linked notes

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