[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[(2R,3R,4S,5S,6S)-6-aminocarbonyl-4-azido-2,5-dimethoxy-oxan-3-yl]oxy-5-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[(2R,3R,4S,5S,6S)-6-aminocarbonyl-4-azido-2,5-dimethoxy-oxan-3-yl]oxy-5-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-3,4-diacetoxy-6-[(2R,3R,4S,5S,6S)-4-azido-6-carbamoyl-2,5-dimethoxy-tetrahydropyran-3-yl]oxy-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[[(2R,3R,4S,5S,6S)-4-azido-6-carbamoyl-2,5-dimethoxy-3-oxanyl]oxy]-5-[(2,2,2-trifluoro-1-oxoethyl)amino]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[(2R,3R,4S,5S,6S)-4-azido-6-carbamoyl-2,5-dimethoxyoxan-3-yl]oxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-3,4-diacetoxy-6-[(2R,3R,4S,5S,6S)-4-azido-6-carbamoyl-2,5-dimethoxy-tetrahydropyran-3-yl]oxy-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]methyl ester Formula: C22H30F3N5O13 MolecularWeight: 629.49451

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC)C(=O)N)OC)N=[N+]=[N-])NC(=O)C(F)(F)F)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC)C(=O)N)OC)N=[N+]=[N-])NC(=O)C(F)(F)F)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H30F3N5O13/c1-7(31)38-6-10-13(39-8(2)32)15(40-9(3)33)12(28-21(35)22(23,24)25)19(41-10)42-16-11(29-30-27)14(36-4)17(18(26)34)43-20(16)37-5/h10-17,19-20H,6H2,1-5H3,(H2,26,34)(H,28,35)/t10-,11+,12-,13-,14+,15-,16-,17+,19+,20-/m1/s1