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

Systemtic Name: 2-phenylazanyl-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]butanedioic acid Openeye Name: 2-anilino-2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]butanedioic acid CAS Name: 2-anilino-2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]butanedioic acid IUPAC Name: 2-anilino-2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]butanedioic acid Traditional Name: 2-anilino-2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]succinic acid Formula: C27H26N2O6S MolecularWeight: 506.57014

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

InChI

InChI=1S/C27H26N2O6S/c30-23(31)17-27(26(34)35,28-22-14-8-3-9-15-22)29-24(32)21(16-19-10-4-1-5-11-19)18-36-25(33)20-12-6-2-7-13-20/h1-15,21,28H,16-18H2,(H,29,32)(H,30,31)(H,34,35)