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

Systemtic Name: 3-phenyl-3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-phenyl-propanoic acid CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoic acid Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]-3-phenyl-propionic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c21-18(22)12-17(15-9-5-2-6-10-15)20-19(23)16(13-24)11-14-7-3-1-4-8-14/h1-10,16-17,24H,11-13H2,(H,20,23)(H,21,22)