(phenylmethyl) 2-[(3-azanyl-4-cyclohexyl-2-oxidanyl-butyl)-(3-methylbutanoyl)amino]ethanoate hydrochloride

Systemtic Name: (phenylmethyl) 2-[(3-azanyl-4-cyclohexyl-2-oxidanyl-butyl)-(3-methylbutanoyl)amino]ethanoate hydrochloride Openeye Name: benzyl 2-[(3-amino-4-cyclohexyl-2-hydroxy-butyl)-(3-methylbutanoyl)amino]acetate hydrochloride CAS Name: 2-[(3-amino-4-cyclohexyl-2-hydroxybutyl)-(3-methyl-1-oxobutyl)amino]acetic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 2-[(3-amino-4-cyclohexyl-2-hydroxybutyl)-(3-methylbutanoyl)amino]acetate hydrochloride Traditional Name: 2-[(3-amino-4-cyclohexyl-2-hydroxy-butyl)-isovaleryl-amino]acetic acid benzyl ester hydrochloride Formula: C24H39ClN2O4 MolecularWeight: 455.03046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N(CC(C(CC1CCCCC1)N)O)CC(=O)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)CC(=O)N(CC(C(CC1CCCCC1)N)O)CC(=O)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C24H38N2O4.ClH/c1-18(2)13-23(28)26(16-24(29)30-17-20-11-7-4-8-12-20)15-22(27)21(25)14-19-9-5-3-6-10-19;/h4,7-8,11-12,18-19,21-22,27H,3,5-6,9-10,13-17,25H2,1-2H3;1H