2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(cyclohexylmethyl)propylamino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)propylamino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H42N2O3S MolecularWeight: 510.73108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCCCC1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCC(CC1CCCCC1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C30H42N2O3S/c1-4-24(18-22-11-6-5-7-12-22)31-20-23-14-15-26(27(19-23)25-13-9-8-10-21(25)2)29(33)32-28(30(34)35)16-17-36-3/h8-10,13-15,19,22,24,28,31H,4-7,11-12,16-18,20H2,1-3H3,(H,32,33)(H,34,35)