5,5-dimethyl-3-[3-(2-methylpentanoylamino)-2-oxidanyl-4-phenyl-butanoyl]-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

Systemtic Name: 5,5-dimethyl-3-[3-(2-methylpentanoylamino)-2-oxidanyl-4-phenyl-butanoyl]-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Openeye Name: 3-[2-hydroxy-3-(2-methylpentanoylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide CAS Name: 3-[2-hydroxy-3-[(2-methyl-1-oxopentyl)amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide IUPAC Name: 3-[2-hydroxy-3-(2-methylpentanoylamino)-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Traditional Name: 3-[2-hydroxy-3-(2-methylpentanoylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(2-methylbenzyl)thiazolidine-4-carboxamide Formula: C30H41N3O4S MolecularWeight: 539.72924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC(CC1=CC=CC=C1)C(C(=O)N2CSC(C2C(=O)NCC3=CC=CC=C3C)(C)C)O

Isomeric SMILES

CCCC(C)C(=O)NC(CC1=CC=CC=C1)C(C(=O)N2CSC(C2C(=O)NCC3=CC=CC=C3C)(C)C)O

InChI

InChI=1S/C30H41N3O4S/c1-6-12-21(3)27(35)32-24(17-22-14-8-7-9-15-22)25(34)29(37)33-19-38-30(4,5)26(33)28(36)31-18-23-16-11-10-13-20(23)2/h7-11,13-16,21,24-26,34H,6,12,17-19H2,1-5H3,(H,31,36)(H,32,35)