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

Systemtic Name: 2-[[4-[[(1-cyclohexyl-3-phenoxy-propan-2-yl)-propan-2-yl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[[1-(cyclohexylmethyl)-2-phenoxy-ethyl]-isopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[(1-cyclohexyl-3-phenoxypropan-2-yl)-propan-2-ylamino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[(1-cyclohexyl-3-phenoxypropan-2-yl)-propan-2-ylamino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[[1-(cyclohexylmethyl)-2-phenoxy-ethyl]-isopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C38H50N2O4S MolecularWeight: 630.8796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C(C)C)C(CC3CCCCC3)COC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C(C)C)C(CC3CCCCC3)COC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C38H50N2O4S/c1-27(2)40(31(23-29-14-7-5-8-15-29)26-44-32-16-9-6-10-17-32)25-30-19-20-34(35(24-30)33-18-12-11-13-28(33)3)37(41)39-36(38(42)43)21-22-45-4/h6,9-13,16-20,24,27,29,31,36H,5,7-8,14-15,21-23,25-26H2,1-4H3,(H,39,41)(H,42,43)