3,3-diphenyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3,3-diphenyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3,3-diphenyl-propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3,3-diphenylpropanoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3,3-diphenylpropanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-3,3-diphenyl-propionic acid Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H25NO3S/c27-24(21(17-30)16-18-10-4-1-5-11-18)26-23(25(28)29)22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-23,30H,16-17H2,(H,26,27)(H,28,29)