3-azanyl-5,5-dimethyl-4-(3-methylbutanoyl)-2-(4-phenylbutanoyl)-2-(quinolin-3-ylcarbonylamino)-1,3-thiazolidine-4-carboxamide

Systemtic Name: 3-azanyl-5,5-dimethyl-4-(3-methylbutanoyl)-2-(4-phenylbutanoyl)-2-(quinolin-3-ylcarbonylamino)-1,3-thiazolidine-4-carboxamide Openeye Name: 3-amino-5,5-dimethyl-4-(3-methylbutanoyl)-2-(4-phenylbutanoyl)-2-(quinoline-3-carbonylamino)thiazolidine-4-carboxamide CAS Name: 3-amino-5,5-dimethyl-4-(3-methyl-1-oxobutyl)-2-(1-oxo-4-phenylbutyl)-2-[[oxo(3-quinolinyl)methyl]amino]-4-thiazolidinecarboxamide IUPAC Name: 3-amino-5,5-dimethyl-4-(3-methylbutanoyl)-2-(4-phenylbutanoyl)-2-(quinoline-3-carbonylamino)-1,3-thiazolidine-4-carboxamide Traditional Name: 3-amino-4-isovaleryl-5,5-dimethyl-2-(4-phenylbutanoyl)-2-(quinoline-3-carbonylamino)thiazolidine-4-carboxamide Formula: C31H37N5O4S MolecularWeight: 575.72158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1(C(SC(N1N)(C(=O)CCCC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N=C3)(C)C)C(=O)N

Isomeric SMILES

CC(C)CC(=O)C1(C(SC(N1N)(C(=O)CCCC2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4N=C3)(C)C)C(=O)N

InChI

InChI=1S/C31H37N5O4S/c1-20(2)17-26(38)30(28(32)40)29(3,4)41-31(36(30)33,25(37)16-10-13-21-11-6-5-7-12-21)35-27(39)23-18-22-14-8-9-15-24(22)34-19-23/h5-9,11-12,14-15,18-20H,10,13,16-17,33H2,1-4H3,(H2,32,40)(H,35,39)