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

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]pentanedioic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]pentanedioic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]glutaric acid Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5S/c17-13(18)7-6-12(15(20)21)16-14(19)11(9-22)8-10-4-2-1-3-5-10/h1-5,11-12,22H,6-9H2,(H,16,19)(H,17,18)(H,20,21)