N-(1H-indol-2-ylmethyl)-5,5-dimethyl-3-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxamide

Systemtic Name: N-(1H-indol-2-ylmethyl)-5,5-dimethyl-3-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-1,3-thiazolidine-4-carboxamide Openeye Name: 3-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(1H-indol-2-ylmethyl)-5,5-dimethyl-thiazolidine-4-carboxamide CAS Name: 3-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-N-(1H-indol-2-ylmethyl)-5,5-dimethyl-4-thiazolidinecarboxamide IUPAC Name: 3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-N-(1H-indol-2-ylmethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide Traditional Name: 3-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-(1H-indol-2-ylmethyl)-5,5-dimethyl-thiazolidine-4-carboxamide Formula: C33H36N4O5S MolecularWeight: 600.72774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)NCC4=CC5=CC=CC=C5N4)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)NCC4=CC5=CC=CC=C5N4)(C)C)O

InChI

InChI=1S/C33H36N4O5S/c1-20-24(13-9-15-27(20)38)30(40)36-26(16-21-10-5-4-6-11-21)28(39)32(42)37-19-43-33(2,3)29(37)31(41)34-18-23-17-22-12-7-8-14-25(22)35-23/h4-15,17,26,28-29,35,38-39H,16,18-19H2,1-3H3,(H,34,41)(H,36,40)