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

Systemtic Name: 5,5-dimethyl-3-[3-[(2-methylphenyl)methylcarbamoylamino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[2-hydroxy-3-(o-tolylmethylcarbamoylamino)-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid CAS Name: 3-[2-hydroxy-3-[[[(2-methylphenyl)methylamino]-oxomethyl]amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-[2-hydroxy-3-[(2-methylphenyl)methylcarbamoylamino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[2-hydroxy-3-[(2-methylbenzyl)carbamoylamino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)O)(C)C)O

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)O)(C)C)O

InChI

InChI=1S/C25H31N3O5S/c1-16-9-7-8-12-18(16)14-26-24(33)27-19(13-17-10-5-4-6-11-17)20(29)22(30)28-15-34-25(2,3)21(28)23(31)32/h4-12,19-21,29H,13-15H2,1-3H3,(H,31,32)(H2,26,27,33)