2-azanyl-5-(3-cyclohexylpropoxy)-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-pentanoic acid

Systemtic Name: 2-azanyl-5-(3-cyclohexylpropoxy)-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-pentanoic acid Openeye Name: 2-amino-5-(3-cyclohexylpropoxy)-4-methylsulfanyl-2-[2-(o-tolyl)benzoyl]pentanoic acid CAS Name: 2-amino-5-(3-cyclohexylpropoxy)-2-[[2-(2-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)pentanoic acid IUPAC Name: 2-amino-5-(3-cyclohexylpropoxy)-2-[2-(2-methylphenyl)benzoyl]-4-methylsulfanylpentanoic acid Traditional Name: 2-amino-5-(3-cyclohexylpropoxy)-4-(methylthio)-2-[2-(o-tolyl)benzoyl]valeric acid Formula: C29H39NO4S MolecularWeight: 497.68926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(COCCCC3CCCCC3)SC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(COCCCC3CCCCC3)SC)(C(=O)O)N

InChI

InChI=1S/C29H39NO4S/c1-21-11-6-7-15-24(21)25-16-8-9-17-26(25)27(31)29(30,28(32)33)19-23(35-2)20-34-18-10-14-22-12-4-3-5-13-22/h6-9,11,15-17,22-23H,3-5,10,12-14,18-20,30H2,1-2H3,(H,32,33)