2-[[4-[3-cyclohexyl-4-[(1-methoxypropan-2-ylamino)methyl]-2-methyl-phenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[3-cyclohexyl-4-[(1-methoxypropan-2-ylamino)methyl]-2-methyl-phenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[3-cyclohexyl-4-[[(2-methoxy-1-methyl-ethyl)amino]methyl]-2-methyl-phenyl]benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[3-cyclohexyl-4-[(1-methoxypropan-2-ylamino)methyl]-2-methylphenyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[3-cyclohexyl-4-[(1-methoxypropan-2-ylamino)methyl]-2-methylphenyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[3-cyclohexyl-4-[[(2-methoxy-1-methyl-ethyl)amino]methyl]-2-methyl-phenyl]benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H42N2O4S MolecularWeight: 526.73048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2CCCCC2)CNC(C)COC)C3=CC=C(C=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1C2CCCCC2)CNC(C)COC)C3=CC=C(C=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C30H42N2O4S/c1-20(19-36-3)31-18-25-14-15-26(21(2)28(25)23-8-6-5-7-9-23)22-10-12-24(13-11-22)29(33)32-27(30(34)35)16-17-37-4/h10-15,20,23,27,31H,5-9,16-19H2,1-4H3,(H,32,33)(H,34,35)