2-[(4-ethanoylphenyl)amino]-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[(4-ethanoylphenyl)amino]-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-(4-acetylanilino)-2-[(2-benzyl-3-sulfanyl-propanoyl)amino]pentanedioic acid CAS Name: 2-(4-acetylanilino)-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-(4-acetylanilino)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]pentanedioic acid Traditional Name: 2-(4-acetylanilino)-2-[(2-benzyl-3-mercapto-propanoyl)amino]glutaric acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(CCC(=O)O)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(CCC(=O)O)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C23H26N2O6S/c1-15(26)17-7-9-19(10-8-17)24-23(22(30)31,12-11-20(27)28)25-21(29)18(14-32)13-16-5-3-2-4-6-16/h2-10,18,24,32H,11-14H2,1H3,(H,25,29)(H,27,28)(H,30,31)