2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]-(4-phenylphenyl)amino]propanoic acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]-(4-phenylphenyl)amino]propanoic acid Openeye Name: 2-(N-(2-benzyl-3-sulfanyl-propanoyl)-4-phenyl-anilino)propanoic acid CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-4-phenylanilino)propanoic acid IUPAC Name: 2-(N-(2-benzyl-3-sulfanylpropanoyl)-4-phenylanilino)propanoic acid Traditional Name: 2-(N-(2-benzyl-3-mercapto-propanoyl)-4-phenyl-anilino)propionic acid Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)CS

Isomeric SMILES

CC(C(=O)O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)CS

InChI

InChI=1S/C25H25NO3S/c1-18(25(28)29)26(24(27)22(17-30)16-19-8-4-2-5-9-19)23-14-12-21(13-15-23)20-10-6-3-7-11-20/h2-15,18,22,30H,16-17H2,1H3,(H,28,29)