5,5-dimethyl-3-[2-oxidanyl-4-phenyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 5,5-dimethyl-3-[2-oxidanyl-4-phenyl-3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-hydroxy-4-phenyl-3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[2-hydroxy-1-oxo-3-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-hydroxy-4-phenyl-3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-hydroxy-4-phenyl-3-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C20H25N5O5S2 MolecularWeight: 479.573

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)CSC3=NC=NN3)O)C(=O)O)C

Isomeric SMILES

CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)CSC3=NC=NN3)O)C(=O)O)C

InChI

InChI=1S/C20H25N5O5S2/c1-20(2)16(18(29)30)25(11-32-20)17(28)15(27)13(8-12-6-4-3-5-7-12)23-14(26)9-31-19-21-10-22-24-19/h3-7,10,13,15-16,27H,8-9,11H2,1-2H3,(H,23,26)(H,29,30)(H,21,22,24)