5,5-dimethyl-3-[3-[(1-methylpyrrol-3-yl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 5,5-dimethyl-3-[3-[(1-methylpyrrol-3-yl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-hydroxy-3-[(1-methylpyrrole-3-carbonyl)amino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[2-hydroxy-3-[[(1-methyl-3-pyrrolyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-hydroxy-3-[(1-methylpyrrole-3-carbonyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-hydroxy-3-[(1-methylpyrrole-3-carbonyl)amino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)C3=CN(C=C3)C)O)C(=O)O)C

Isomeric SMILES

CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)C3=CN(C=C3)C)O)C(=O)O)C

InChI

InChI=1S/C22H27N3O5S/c1-22(2)18(21(29)30)25(13-31-22)20(28)17(26)16(11-14-7-5-4-6-8-14)23-19(27)15-9-10-24(3)12-15/h4-10,12,16-18,26H,11,13H2,1-3H3,(H,23,27)(H,29,30)