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

Systemtic Name: 3-[3-(2-acetamidopropanoylamino)-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Openeye Name: 3-[3-(2-acetamidopropanoylamino)-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide CAS Name: 3-[3-[(2-acetamido-1-oxopropyl)amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide IUPAC Name: 3-[3-(2-acetamidopropanoylamino)-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Traditional Name: 3-[3-(2-acetamidopropanoylamino)-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-N-(2-methylbenzyl)thiazolidine-4-carboxamide Formula: C29H38N4O5S MolecularWeight: 554.70082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2C(SCN2C(=O)C(C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C)O)(C)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2C(SCN2C(=O)C(C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C)O)(C)C

InChI

InChI=1S/C29H38N4O5S/c1-18-11-9-10-14-22(18)16-30-27(37)25-29(4,5)39-17-33(25)28(38)24(35)23(15-21-12-7-6-8-13-21)32-26(36)19(2)31-20(3)34/h6-14,19,23-25,35H,15-17H2,1-5H3,(H,30,37)(H,31,34)(H,32,36)