4-[[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[(2-benzyl-3-sulfanyl-propanoyl)amino]methyl]benzoic acid CAS Name: 4-[[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-benzyl-3-sulfanylpropanoyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-benzyl-3-mercapto-propanoyl)amino]methyl]benzoic 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)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

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