2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-methoxy-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-methoxy-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(cyclohexylmethyl)propylamino]methyl]-5-methoxy-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-methoxy-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-methoxy-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)propylamino]methyl]-5-methoxy-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C31H44N2O4S MolecularWeight: 540.75706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2O4S/c1-5-24(17-22-12-7-6-8-13-22)32-20-23-18-26(25-14-10-9-11-21(25)2)27(19-29(23)37-3)30(34)33-28(31(35)36)15-16-38-4/h9-11,14,18-19,22,24,28,32H,5-8,12-13,15-17,20H2,1-4H3,(H,33,34)(H,35,36)