[1-[[(2R,3R,4R,5S)-4-acetyloxy-5-[(1S,2S,3R,5S,6R)-2-acetyloxy-6-[(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-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-3-[(2R,3R,4R,5R,6S)-4,5-diacetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-oxolan-2-yl]methyl]-1,2,3-triazol-4-yl]methyl 4-nitrobenzoate

Systemtic Name: [1-[[(2R,3R,4R,5S)-4-acetyloxy-5-[(1S,2S,3R,5S,6R)-2-acetyloxy-6-[(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-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-3-[(2R,3R,4R,5R,6S)-4,5-diacetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-oxolan-2-yl]methyl]-1,2,3-triazol-4-yl]methyl 4-nitrobenzoate Openeye Name: [1-[[(2R,3R,4R,5S)-4-acetoxy-5-[(1S,2S,3R,5S,6R)-2-acetoxy-3,5-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-[(2R,3R,4R,5R,6S)-4,5-diacetoxy-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl]triazol-4-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-[[(2R,3R,4R,5S)-4-acetyloxy-5-[(1S,2S,3R,5S,6R)-2-acetyloxy-6-[[(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]-3,5-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]oxy-3-[[(2R,3R,4R,5R,6S)-4,5-diacetyloxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxanyl]oxy]-2-oxolanyl]methyl]-4-triazolyl]methyl ester IUPAC Name: [1-[[(2R,3R,4R,5S)-4-acetyloxy-5-[(1S,2S,3R,5S,6R)-2-acetyloxy-6-[(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-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-3-[(2R,3R,4R,5R,6S)-4,5-diacetyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxyoxolan-2-yl]methyl]triazol-4-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-[[(2R,3R,4R,5S)-4-acetoxy-5-[(1S,2S,3R,5S,6R)-2-acetoxy-3,5-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-[(2R,3R,4R,5R,6S)-4,5-diacetoxy-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl]triazol-4-yl]methyl ester Formula: C75H112N10O34 MolecularWeight: 1697.73838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC(C(C1OC2C(C(C(O2)CN3C=C(N=N3)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC5C(C(C(C(O5)CNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C)OC(=O)C)OC6C(C(C(C(O6)CNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](C[C@@H]([C@H]([C@@H]1O[C@H]2[C@@H]([C@@H]([C@H](O2)CN3C=C(N=N3)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@@H](O5)CNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C)OC(=O)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C75H112N10O34/c1-35(86)102-51-44(78-66(95)116-72(13,14)15)29-45(79-67(96)117-73(16,17)18)52(111-61-49(80-68(97)118-74(19,20)21)56(105-38(4)89)53(103-36(2)87)46(108-61)30-76-64(93)114-70(7,8)9)58(51)113-63-59(107-40(6)91)55(48(110-63)33-84-32-42(82-83-84)34-101-60(92)41-25-27-43(28-26-41)85(99)100)112-62-50(81-69(98)119-75(22,23)24)57(106-39(5)90)54(104-37(3)88)47(109-62)31-77-65(94)115-71(10,11)12/h25-28,32,44-59,61-63H,29-31,33-34H2,1-24H3,(H,76,93)(H,77,94)(H,78,95)(H,79,96)(H,80,97)(H,81,98)/t44-,45+,46-,47+,48-,49-,50-,51+,52-,53-,54-,55-,56-,57-,58-,59-,61-,62-,63+/m1/s1