2-phenylazanyl-2-[[2-(phenylmethyl)-3-pyridin-3-ylcarbonylsulfanyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-phenylazanyl-2-[[2-(phenylmethyl)-3-pyridin-3-ylcarbonylsulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-anilino-2-[[2-benzyl-3-(pyridine-3-carbonylsulfanyl)propanoyl]amino]pentanedioic acid CAS Name: 2-anilino-2-[[1-oxo-2-[[[oxo(3-pyridinyl)methyl]thio]methyl]-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-anilino-2-[[2-benzyl-3-(pyridine-3-carbonylsulfanyl)propanoyl]amino]pentanedioic acid Traditional Name: 2-anilino-2-[[2-benzyl-3-(nicotinoylthio)propanoyl]amino]glutaric acid Formula: C27H27N3O6S MolecularWeight: 521.58478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)C2=CN=CC=C2)C(=O)NC(CCC(=O)O)(C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)C2=CN=CC=C2)C(=O)NC(CCC(=O)O)(C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O6S/c31-23(32)13-14-27(26(35)36,29-22-11-5-2-6-12-22)30-24(33)21(16-19-8-3-1-4-9-19)18-37-25(34)20-10-7-15-28-17-20/h1-12,15,17,21,29H,13-14,16,18H2,(H,30,33)(H,31,32)(H,35,36)