[(2R,3R,4R,5R)-4-acetyloxy-5-[(1R,2R,3S,5S,6R)-5-azido-2-[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-3-[[(1S,2S,4R,5R,6R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-4-acetyloxy-5-[(1R,2R,3S,5S,6R)-5-azido-2-[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-3-[[(1S,2S,4R,5R,6R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-4-acetoxy-5-[(1R,2R,3S,5S,6R)-3-azido-2,5-bis(tert-butoxycarbonylamino)-6-[(2R,3R,4R,5R,6R)-4,5-diacetoxy-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-yl]oxy-cyclohexoxy]-3-[[(1S,2S,4R,5R,6R)-5-(tert-butoxycarbonylamino)-2-[(tert-butoxycarbonylamino)methyl]-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-4-acetyloxy-5-[(1R,2R,3S,5S,6R)-5-azido-2-[[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxanyl]oxy]-3,6-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]oxy-3-[[(1S,2S,4R,5R,6R)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-4-acetyloxy-5-[(1R,2R,3S,5S,6R)-5-azido-2-[(2R,3R,4R,5R,6R)-4,5-diacetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-3,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-3-[[(1S,2S,4R,5R,6R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-4-acetoxy-5-[(1R,2R,3S,5S,6R)-3-azido-2,5-bis(tert-butoxycarbonylamino)-6-[(2R,3R,4R,5R,6R)-4,5-diacetoxy-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-yl]oxy-cyclohexoxy]-3-[[(1S,2S,4R,5R,6R)-5-(tert-butoxycarbonylamino)-2-[(tert-butoxycarbonylamino)methyl]-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]tetrahydrofuran-2-yl]methyl ester Formula: C61H99N9O27 MolecularWeight: 1390.48286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)OC2C(C(CC(C2OC3C(C(C(C(O3)CNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N=[N+]=[N-])NC(=O)OC(C)(C)C)OC(=O)C)OC4C(C5C(O5)C(O4)CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N=[N+]=[N-])NC(=O)OC(C)(C)C)OC(=O)C)O[C@@H]4[C@@H]([C@@H]5[C@@H](O5)[C@@H](O4)CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C61H99N9O27/c1-27(71)81-26-35-42(90-48-38(68-55(80)97-61(20,21)22)45-41(88-45)34(86-48)25-64-51(76)93-57(8,9)10)46(84-30(4)74)49(87-35)91-43-36(66-53(78)95-59(14,15)16)31(69-70-62)23-32(65-52(77)94-58(11,12)13)39(43)89-47-37(67-54(79)96-60(17,18)19)44(83-29(3)73)40(82-28(2)72)33(85-47)24-63-50(75)92-56(5,6)7/h31-49H,23-26H2,1-22H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)(H,67,79)(H,68,80)/t31-,32-,33+,34-,35+,36+,37+,38+,39+,40+,41-,42+,43+,44+,45+,46+,47+,48+,49-/m0/s1