2-azanyl-2-[2-(2-methylphenyl)-4-[[(phenylmethyl)-pyridin-3-yl-amino]methyl]phenyl]carbonyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[2-(2-methylphenyl)-4-[[(phenylmethyl)-pyridin-3-yl-amino]methyl]phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-[[benzyl(3-pyridyl)amino]methyl]-2-(o-tolyl)benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[2-(2-methylphenyl)-4-[[(phenylmethyl)-(3-pyridinyl)amino]methyl]phenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[[benzyl(pyridin-3-yl)amino]methyl]-2-(2-methylphenyl)benzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[[benzyl(3-pyridyl)amino]methyl]-2-(o-tolyl)benzoyl]-4-(methylthio)butyric acid Formula: C32H33N3O3S MolecularWeight: 539.68772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3=CC=CC=C3)C4=CN=CC=C4)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3=CC=CC=C3)C4=CN=CC=C4)C(=O)C(CCSC)(C(=O)O)N

InChI

InChI=1S/C32H33N3O3S/c1-23-9-6-7-13-27(23)29-19-25(14-15-28(29)30(36)32(33,31(37)38)16-18-39-2)22-35(26-12-8-17-34-20-26)21-24-10-4-3-5-11-24/h3-15,17,19-20H,16,18,21-22,33H2,1-2H3,(H,37,38)