(4R)-3-[(2S,3S)-3-[2-[2,6-dimethyl-4-(pyridin-2-ylmethylamino)phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide

Systemtic Name: (4R)-3-[(2S,3S)-3-[2-[2,6-dimethyl-4-(pyridin-2-ylmethylamino)phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide Openeye Name: (4R)-3-[(2S,3S)-3-[[2-[2,6-dimethyl-4-(2-pyridylmethylamino)phenoxy]acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S,2R)-2-hydroxyindan-1-yl]-5,5-dimethyl-thiazolidine-4-carboxamide CAS Name: (4R)-3-[(2S,3S)-3-[[2-[2,6-dimethyl-4-(2-pyridinylmethylamino)phenoxy]-1-oxoethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-4-thiazolidinecarboxamide IUPAC Name: (4R)-3-[(2S,3S)-3-[[2-[2,6-dimethyl-4-(pyridin-2-ylmethylamino)phenoxy]acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide Traditional Name: (4R)-3-[(2S,3S)-3-[[2-[2,6-dimethyl-4-(2-pyridylmethylamino)phenoxy]acetyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S,2R)-2-hydroxyindan-1-yl]-5,5-dimethyl-thiazolidine-4-carboxamide Formula: C41H47N5O6S MolecularWeight: 737.90678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)NC4C(CC5=CC=CC=C45)O)(C)C)O)C)NCC6=CC=CC=N6

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)(C)C)O)C)NCC6=CC=CC=N6

InChI

InChI=1S/C41H47N5O6S/c1-25-18-30(43-22-29-15-10-11-17-42-29)19-26(2)37(25)52-23-34(48)44-32(20-27-12-6-5-7-13-27)36(49)40(51)46-24-53-41(3,4)38(46)39(50)45-35-31-16-9-8-14-28(31)21-33(35)47/h5-19,32-33,35-36,38,43,47,49H,20-24H2,1-4H3,(H,44,48)(H,45,50)/t32-,33+,35-,36-,38+/m0/s1