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

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[[4-methylsulfanyl-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[2-(benzyloxymethyl)-4-methylsulfanyl-pyrrolidin-1-yl]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[[4-(methylthio)-2-(phenylmethoxymethyl)-1-pyrrolidinyl]methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[[4-methylsulfanyl-2-(phenylmethoxymethyl)pyrrolidin-1-yl]methyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[2-(benzoxymethyl)-4-(methylthio)pyrrolidino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C33H40N2O4S2 MolecularWeight: 592.8117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3CC(CC3COCC4=CC=CC=C4)SC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3CC(CC3COCC4=CC=CC=C4)SC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C33H40N2O4S2/c1-23-9-7-8-12-28(23)30-17-25(13-14-29(30)32(36)34-31(33(37)38)15-16-40-2)19-35-20-27(41-3)18-26(35)22-39-21-24-10-5-4-6-11-24/h4-14,17,26-27,31H,15-16,18-22H2,1-3H3,(H,34,36)(H,37,38)