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

Systemtic Name: 2-phenylazanyl-2-[[2-(phenylmethyl)-3-pyridin-3-ylcarbonylsulfanyl-propanoyl]amino]butanedioic acid Openeye Name: 2-anilino-2-[[2-benzyl-3-(pyridine-3-carbonylsulfanyl)propanoyl]amino]butanedioic acid CAS Name: 2-anilino-2-[[1-oxo-2-[[[oxo(3-pyridinyl)methyl]thio]methyl]-3-phenylpropyl]amino]butanedioic acid IUPAC Name: 2-anilino-2-[[2-benzyl-3-(pyridine-3-carbonylsulfanyl)propanoyl]amino]butanedioic acid Traditional Name: 2-anilino-2-[[2-benzyl-3-(nicotinoylthio)propanoyl]amino]succinic acid Formula: C26H25N3O6S MolecularWeight: 507.5582

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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(CC(=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(CC(=O)O)(C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O6S/c30-22(31)15-26(25(34)35,28-21-11-5-2-6-12-21)29-23(32)20(14-18-8-3-1-4-9-18)17-36-24(33)19-10-7-13-27-16-19/h1-13,16,20,28H,14-15,17H2,(H,29,32)(H,30,31)(H,34,35)