2-[[2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanoyl]amino]-2-phenylazanyl-pentanedioic acid

Systemtic Name: 2-[[2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)sulfanylmethyl]-3-phenyl-propanoyl]amino]-2-phenylazanyl-pentanedioic acid Openeye Name: 2-anilino-2-[[2-benzyl-3-[(3-oxo-1H-isobenzofuran-1-yl)sulfanyl]propanoyl]amino]pentanedioic acid CAS Name: 2-anilino-2-[[1-oxo-2-[[(3-oxo-1H-isobenzofuran-1-yl)thio]methyl]-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-anilino-2-[[2-benzyl-3-[(3-oxo-1H-2-benzofuran-1-yl)sulfanyl]propanoyl]amino]pentanedioic acid Traditional Name: 2-anilino-2-[[2-benzyl-3-(phthalidylthio)propanoyl]amino]glutaric acid Formula: C29H28N2O7S MolecularWeight: 548.60682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C(=O)NC(CCC(=O)O)(C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC2C3=CC=CC=C3C(=O)O2)C(=O)NC(CCC(=O)O)(C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O7S/c32-24(33)15-16-29(28(36)37,30-21-11-5-2-6-12-21)31-25(34)20(17-19-9-3-1-4-10-19)18-39-27-23-14-8-7-13-22(23)26(35)38-27/h1-14,20,27,30H,15-18H2,(H,31,34)(H,32,33)(H,36,37)