2-[[4-[4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-benzyl-3-[4-(tert-butylcarbamoyl)thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl]carbamoyl]benzoic acid CAS Name: 2-[[[4-[4-[(tert-butylamino)-oxomethyl]-3-thiazolidinyl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-benzyl-3-[4-(tert-butylcarbamoyl)thiazolidin-3-yl]-2-hydroxy-3-keto-propyl]carbamoyl]benzoic acid Formula: C26H31N3O6S MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O)O

Isomeric SMILES

CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C26H31N3O6S/c1-26(2,3)28-23(32)20-14-36-15-29(20)24(33)21(30)19(13-16-9-5-4-6-10-16)27-22(31)17-11-7-8-12-18(17)25(34)35/h4-12,19-21,30H,13-15H2,1-3H3,(H,27,31)(H,28,32)(H,34,35)