N-[[(2S,5R,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-(phenylsulfonylamino)oxan-2-yl]methyl]-2,2,2-tris(fluoranyl)-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: N-[[(2S,5R,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-(phenylsulfonylamino)oxan-2-yl]methyl]-2,2,2-tris(fluoranyl)-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: N-[[(2S,5R,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-(benzenesulfonamido)tetrahydropyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide CAS Name: N-[[(2S,5R,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-(benzenesulfonamido)-2-oxanyl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: N-[[(2S,5R,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-(benzenesulfonamido)oxan-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide Traditional Name: N-[[(2S,5R,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-(benzenesulfonamido)tetrahydropyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide Formula: C31H37F3N6O8S MolecularWeight: 710.72109

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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-])NS(=O)(=O)C5=CC=CC=C5)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-])NS(=O)(=O)C5=CC=CC=C5)C(=O)C(F)(F)F

InChI

InChI=1S/C31H37F3N6O8S/c1-18(19-10-6-4-7-11-19)40(29(41)31(32,33)34)17-20-14-15-22(37-49(43,44)21-12-8-5-9-13-21)28(46-20)47-26-23(36-38-35)16-24(45-3)25-27(26)48-30(42)39(25)2/h4-13,18,20,22-28,37H,14-17H2,1-3H3/t18-,20+,22-,23+,24+,25-,26-,27-,28-/m1/s1