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

Systemtic Name: 3-[3-(isoquinolin-4-ylcarbonylamino)-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Openeye Name: 3-[2-hydroxy-3-(isoquinoline-4-carbonylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide CAS Name: 3-[2-hydroxy-3-[[4-isoquinolinyl(oxo)methyl]amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide IUPAC Name: 3-[2-hydroxy-3-(isoquinoline-4-carbonylamino)-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Traditional Name: 3-[2-hydroxy-3-(isoquinoline-4-carbonylamino)-4-phenyl-butanoyl]-5,5-dimethyl-N-(2-methylbenzyl)thiazolidine-4-carboxamide Formula: C34H36N4O4S MolecularWeight: 596.73904

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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)C4=CN=CC5=CC=CC=C54)O)(C)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2C(SCN2C(=O)C(C(CC3=CC=CC=C3)NC(=O)C4=CN=CC5=CC=CC=C54)O)(C)C

InChI

InChI=1S/C34H36N4O4S/c1-22-11-7-8-14-24(22)19-36-32(41)30-34(2,3)43-21-38(30)33(42)29(39)28(17-23-12-5-4-6-13-23)37-31(40)27-20-35-18-25-15-9-10-16-26(25)27/h4-16,18,20,28-30,39H,17,19,21H2,1-3H3,(H,36,41)(H,37,40)