3-[[2-oxidanyl-4-(4-phenylbutanoylcarbamoyl)-1,3-thiazolidin-3-yl]carbamoyl]benzoic acid

Systemtic Name: 3-[[2-oxidanyl-4-(4-phenylbutanoylcarbamoyl)-1,3-thiazolidin-3-yl]carbamoyl]benzoic acid Openeye Name: 3-[[2-hydroxy-4-(4-phenylbutanoylcarbamoyl)thiazolidin-3-yl]carbamoyl]benzoic acid CAS Name: 3-[[[2-hydroxy-4-[oxo-[(1-oxo-4-phenylbutyl)amino]methyl]-3-thiazolidinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-[[2-hydroxy-4-(4-phenylbutanoylcarbamoyl)-1,3-thiazolidin-3-yl]carbamoyl]benzoic acid Traditional Name: 3-[[2-hydroxy-4-(4-phenylbutanoylcarbamoyl)thiazolidin-3-yl]carbamoyl]benzoic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(S1)O)NC(=O)C2=CC(=CC=C2)C(=O)O)C(=O)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1C(N(C(S1)O)NC(=O)C2=CC(=CC=C2)C(=O)O)C(=O)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6S/c26-18(11-4-8-14-6-2-1-3-7-14)23-20(28)17-13-32-22(31)25(17)24-19(27)15-9-5-10-16(12-15)21(29)30/h1-3,5-7,9-10,12,17,22,31H,4,8,11,13H2,(H,24,27)(H,29,30)(H,23,26,28)