2-[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]-cyclopropyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]-cyclopropyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[[1-(cyclohexylmethyl)-2-isopentyloxy-ethyl]-cyclopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]-cyclopropylamino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]-cyclopropylamino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[[1-(cyclohexylmethyl)-2-isoamoxy-ethyl]-cyclopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C37H54N2O4S MolecularWeight: 622.90066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3CC3)C(CC4CCCCC4)COCCC(C)C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3CC3)C(CC4CCCCC4)COCCC(C)C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C37H54N2O4S/c1-26(2)18-20-43-25-31(22-28-11-6-5-7-12-28)39(30-15-16-30)24-29-14-17-33(34(23-29)32-13-9-8-10-27(32)3)36(40)38-35(37(41)42)19-21-44-4/h8-10,13-14,17,23,26,28,30-31,35H,5-7,11-12,15-16,18-22,24-25H2,1-4H3,(H,38,40)(H,41,42)