[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[6-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]hexanoylamino]-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[6-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]hexanoylamino]-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-4,5-diacetoxy-6-[6-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]hexanoylamino]-3-[(2S,3R,4S,5S,6R)-3,5-diacetoxy-6-(acetoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[[6-[[2-[2-(2-azidoethoxy)ethoxy]ethoxy-oxomethyl]amino]-1-oxohexyl]amino]-3-[[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[6-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]hexanoylamino]-3-[(2S,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetoxy-6-[6-[2-[2-(2-azidoethoxy)ethoxy]ethoxycarbonylamino]hexanoylamino]-3-[(2S,3R,4S,5S,6R)-3,5-diacetoxy-6-(acetoxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C51H75N5O30 MolecularWeight: 1238.1567

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=O)CCCCCNC(=O)OCCOCCOCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CCCCCNC(=O)OCCOCCOCCN=[N+]=[N-])OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C51H75N5O30/c1-25(57)72-22-35-41(42(77-30(6)62)45(79-32(8)64)48(82-35)55-38(67)14-12-11-13-15-53-51(68)71-21-20-70-19-18-69-17-16-54-56-52)85-49-47(81-34(10)66)44(40(76-29(5)61)37(83-49)24-74-27(3)59)86-50-46(80-33(9)65)43(78-31(7)63)39(75-28(4)60)36(84-50)23-73-26(2)58/h35-37,39-50H,11-24H2,1-10H3,(H,53,68)(H,55,67)/t35-,36-,37-,39+,40+,41-,42+,43+,44+,45-,46-,47-,48-,49+,50+/m1/s1