Molecule ID: 5493444

IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide

Description: The molecule is a monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position. It has a role as an antihypertensive agent. It is a monomethoxybenzene and a monocarboxylic acid amide.

SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(O)=NCC(C)(C)C(=N)O)C(C)C)C(C)C)ccc1OC

SELFIES: [C][O][C][C][C][O][C][=C][C][Branch2][Ring2][S][C][C@@H1][Branch2][Ring2][=Branch1][C][C@H1][Branch1][C][N][C@@H1][Branch1][C][O][C][C@H1][Branch2][Ring1][Ring1][C][Branch1][C][O][=N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=N][O][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][#C][O][C]

InChI: InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1

Molecular Properties:
- Polar Surface Area: 146.0 Ų
- LogP: 3.5