N-[[(2S,5S,6R)-6-[[(3aR,4S,6S,7R,7aR)-6-azido-4-methoxy-3-methyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-7-yl]oxy]-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-oxan-2-yl]methyl]-2,2,2-tris(fluoranyl)-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: N-[[(2S,5S,6R)-6-[[(3aR,4S,6S,7R,7aR)-6-azido-4-methoxy-3-methyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-7-yl]oxy]-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxy-oxan-2-yl]methyl]-2,2,2-tris(fluoranyl)-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: N-[[(2S,5S,6R)-6-[[(3aR,4S,6S,7R,7aR)-6-azido-4-methoxy-3-methyl-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-7-yl]oxy]-5-[(2,2,6,6-tetramethyl-1-piperidyl)oxy]tetrahydropyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide CAS Name: N-[[(2S,5S,6R)-6-[[(3aR,4S,6S,7R,7aR)-6-azido-4-methoxy-3-methyl-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-7-yl]oxy]-5-[(2,2,6,6-tetramethyl-1-piperidinyl)oxy]-2-oxanyl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: N-[[(2S,5S,6R)-6-[[(3aR,4S,6S,7R,7aR)-6-azido-4-methoxy-3-methyl-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-7-yl]oxy]-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxyoxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide Traditional Name: N-[[(2S,5S,6R)-6-[[(3aR,4S,6S,7R,7aR)-6-azido-2-keto-4-methoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-7-yl]oxy]-5-(2,2,6,6-tetramethylpiperidino)oxy-tetrahydropyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide Formula: C34H49F3N6O7 MolecularWeight: 710.78407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2CCC(C(O2)OC3C(CC(C4C3OC(=O)N4C)OC)N=[N+]=[N-])ON5C(CCCC5(C)C)(C)C)C(=O)C(F)(F)F

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(C[C@@H]2CC[C@@H]([C@H](O2)O[C@@H]3[C@H](C[C@@H]([C@@H]4[C@H]3OC(=O)N4C)OC)N=[N+]=[N-])ON5C(CCCC5(C)C)(C)C)C(=O)C(F)(F)F

InChI

InChI=1S/C34H49F3N6O7/c1-20(21-12-9-8-10-13-21)42(30(44)34(35,36)37)19-22-14-15-24(50-43-32(2,3)16-11-17-33(43,4)5)29(47-22)48-27-23(39-40-38)18-25(46-7)26-28(27)49-31(45)41(26)6/h8-10,12-13,20,22-29H,11,14-19H2,1-7H3/t20-,22+,23+,24+,25+,26-,27-,28-,29-/m1/s1