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

Systemtic Name: 5,5-dimethyl-3-[3-(2-methylbutanoylamino)-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-hydroxy-3-(2-methylbutanoylamino)-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[2-hydroxy-3-[(2-methyl-1-oxobutyl)amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-hydroxy-3-(2-methylbutanoylamino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-hydroxy-3-(2-methylbutanoylamino)-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C21H30N2O5S MolecularWeight: 422.5383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC(CC1=CC=CC=C1)C(C(=O)N2CSC(C2C(=O)O)(C)C)O

Isomeric SMILES

CCC(C)C(=O)NC(CC1=CC=CC=C1)C(C(=O)N2CSC(C2C(=O)O)(C)C)O

InChI

InChI=1S/C21H30N2O5S/c1-5-13(2)18(25)22-15(11-14-9-7-6-8-10-14)16(24)19(26)23-12-29-21(3,4)17(23)20(27)28/h6-10,13,15-17,24H,5,11-12H2,1-4H3,(H,22,25)(H,27,28)