2-phenylazanyl-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]pentanedioic acid

Systemtic Name: 2-phenylazanyl-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]pentanedioic acid Openeye Name: 2-anilino-2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]pentanedioic acid CAS Name: 2-anilino-2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-anilino-2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]pentanedioic acid Traditional Name: 2-anilino-2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]glutaric acid Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28N2O6S/c31-24(32)16-17-28(27(35)36,29-23-14-8-3-9-15-23)30-25(33)22(18-20-10-4-1-5-11-20)19-37-26(34)21-12-6-2-7-13-21/h1-15,22,29H,16-19H2,(H,30,33)(H,31,32)(H,35,36)