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

Systemtic Name: 2-[phenyl-[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-(N-(2-benzyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]anilino)acetic acid IUPAC Name: 2-(N-(2-benzyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-(2-benzyl-3-mercapto-propanoyl)anilino)acetic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c20-17(21)12-19(16-9-5-2-6-10-16)18(22)15(13-23)11-14-7-3-1-4-8-14/h1-10,15,23H,11-13H2,(H,20,21)