(4R)-3-[(2S,3S)-3-[2-[4-(dimethylamino)-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

Systemtic Name: (4R)-3-[(2S,3S)-3-[2-[4-(dimethylamino)-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Openeye Name: (4R)-3-[(2S,3S)-3-[[2-[4-(dimethylamino)-2,6-dimethyl-phenoxy]acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-N-(o-tolylmethyl)thiazolidine-4-carboxamide CAS Name: (4R)-3-[(2S,3S)-3-[[2-[4-(dimethylamino)-2,6-dimethylphenoxy]-1-oxoethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-4-thiazolidinecarboxamide IUPAC Name: (4R)-3-[(2S,3S)-3-[[2-[4-(dimethylamino)-2,6-dimethylphenoxy]acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide Traditional Name: (4R)-3-[(2S,3S)-3-[[2-[4-(dimethylamino)-2,6-dimethyl-phenoxy]acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-N-(2-methylbenzyl)thiazolidine-4-carboxamide Formula: C36H46N4O5S MolecularWeight: 646.83924

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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)COC4=C(C=C(C=C4C)N(C)C)C)O)(C)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](CC3=CC=CC=C3)NC(=O)COC4=C(C=C(C=C4C)N(C)C)C)O)(C)C

InChI

InChI=1S/C36H46N4O5S/c1-23-13-11-12-16-27(23)20-37-34(43)33-36(4,5)46-22-40(33)35(44)31(42)29(19-26-14-9-8-10-15-26)38-30(41)21-45-32-24(2)17-28(39(6)7)18-25(32)3/h8-18,29,31,33,42H,19-22H2,1-7H3,(H,37,43)(H,38,41)/t29-,31-,33+/m0/s1