Molecule ID: 24848333

IUPAC Name: [(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azanium

Description: The molecule is an ammonium ion resulting from the protonation of the secondary amino group of benazepril. It is a conjugate acid of a benazepril.

SMILES: CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2ccccc2N(CC(=O)O)C1=O

SELFIES: [C][C][O][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH2+1][C@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][#C][=O]

InChI: InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/p+1/t19-,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.3