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

Systemtic Name: 2-[(4-methoxyphenyl)amino]-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-2-(4-methoxyanilino)pentanedioic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-2-(4-methoxyanilino)pentanedioic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-(4-methoxyanilino)pentanedioic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-2-(p-anisidino)glutaric acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(CCC(=O)O)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

COC1=CC=C(C=C1)NC(CCC(=O)O)(C(=O)O)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C22H26N2O6S/c1-30-18-9-7-17(8-10-18)23-22(21(28)29,12-11-19(25)26)24-20(27)16(14-31)13-15-5-3-2-4-6-15/h2-10,16,23,31H,11-14H2,1H3,(H,24,27)(H,25,26)(H,28,29)