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

Systemtic Name: 3-[3-methyl-2-(2-phenylethanoylamino)butanoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]-2-phenyl-thiazolidine-4-carboxylic acid CAS Name: 3-[3-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]butyl]-2-phenyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]-2-phenyl-thiazolidine-4-carboxylic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)N1C(CSC1C2=CC=CC=C2)C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4S/c1-15(2)20(24-19(26)13-16-9-5-3-6-10-16)21(27)25-18(23(28)29)14-30-22(25)17-11-7-4-8-12-17/h3-12,15,18,20,22H,13-14H2,1-2H3,(H,24,26)(H,28,29)