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-azanyl-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-azanyl-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-amino-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-amino-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-aminooxan-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-amino-tetrahydropyran-2-yl]methyl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide Formula: C25H33F3N6O6 MolecularWeight: 570.56133

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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-])N)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-])N)C(=O)C(F)(F)F

InChI

InChI=1S/C25H33F3N6O6/c1-13(14-7-5-4-6-8-14)34(23(35)25(26,27)28)12-15-9-10-16(29)22(38-15)39-20-17(31-32-30)11-18(37-3)19-21(20)40-24(36)33(19)2/h4-8,13,15-22H,9-12,29H2,1-3H3/t13-,15+,16-,17+,18+,19-,20-,21-,22-/m1/s1