2-[[2-(2-methylphenyl)-4-[(3-phenylmethoxypyrrolidin-1-yl)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(3-phenylmethoxypyrrolidin-1-yl)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(3-benzyloxypyrrolidin-1-yl)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(3-phenylmethoxy-1-pyrrolidinyl)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(3-phenylmethoxypyrrolidin-1-yl)methyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(3-benzoxypyrrolidino)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C31H36N2O4S MolecularWeight: 532.69354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3CCC(C3)OCC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3CCC(C3)OCC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C31H36N2O4S/c1-22-8-6-7-11-26(22)28-18-24(12-13-27(28)30(34)32-29(31(35)36)15-17-38-2)19-33-16-14-25(20-33)37-21-23-9-4-3-5-10-23/h3-13,18,25,29H,14-17,19-21H2,1-2H3,(H,32,34)(H,35,36)