2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxidanylidene-3-[(1-phenyl-3-sulfanyl-propan-2-yl)amino]propanoic acid

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxidanylidene-3-[(1-phenyl-3-sulfanyl-propan-2-yl)amino]propanoic acid Openeye Name: 3-[(1-benzyl-2-sulfanyl-ethyl)amino]-2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxo-propanoic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-[(1-mercapto-3-phenylpropan-2-yl)amino]-3-oxopropanoic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-3-oxo-3-[(1-phenyl-3-sulfanylpropan-2-yl)amino]propanoic acid Traditional Name: 3-[(1-benzyl-2-mercapto-ethyl)amino]-2-[4-(2-cyanophenyl)benzyl]-3-keto-propionic acid Formula: C26H24N2O3S MolecularWeight: 444.54536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)NC(=O)C(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)NC(=O)C(CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C26H24N2O3S/c27-16-21-8-4-5-9-23(21)20-12-10-19(11-13-20)15-24(26(30)31)25(29)28-22(17-32)14-18-6-2-1-3-7-18/h1-13,22,24,32H,14-15,17H2,(H,28,29)(H,30,31)