3-[3-methyl-2-(3-phenylpropanoylamino)butanoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[3-methyl-2-(3-phenylpropanoylamino)butanoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-methyl-2-(3-phenylpropanoylamino)butanoyl]-2-phenyl-thiazolidine-4-carboxylic acid CAS Name: 3-[3-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]-2-phenyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-methyl-2-(3-phenylpropanoylamino)butanoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-(hydrocinnamoylamino)-3-methyl-butanoyl]-2-phenyl-thiazolidine-4-carboxylic acid Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(CSC1C2=CC=CC=C2)C(=O)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)N1C(CSC1C2=CC=CC=C2)C(=O)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4S/c1-16(2)21(25-20(27)14-13-17-9-5-3-6-10-17)22(28)26-19(24(29)30)15-31-23(26)18-11-7-4-8-12-18/h3-12,16,19,21,23H,13-15H2,1-2H3,(H,25,27)(H,29,30)