[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 dodecanoate

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 dodecanoate 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 dodecanoate CAS Name: dodecanoic 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 dodecanoate Traditional Name: lauric 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: C80H131N9O32 MolecularWeight: 1730.93724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1=CN(N=N1)CC2C(C(C(O2)OC3C(C(CC(C3OC(=O)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OC4C(C(C(C(O4)CNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C)OC(=O)C)OC5C(C(C(C(O5)CNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC1=CN(N=N1)C[C@@H]2[C@H]([C@H]([C@@H](O2)O[C@H]3[C@@H]([C@H](C[C@H]([C@@H]3OC(=O)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CNC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)NC(=O)OC(C)(C)C)OC(=O)C)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

InChI

InChI=1S/C80H131N9O32/c1-26-27-28-29-30-31-32-33-34-35-54(96)103-41-48-39-89(88-87-48)40-53-61(114-67-56(86-74(102)121-80(23,24)25)63(108-46(6)94)60(106-44(4)92)52(111-67)38-82-70(98)117-76(11,12)13)65(109-47(7)95)68(112-53)115-64-57(104-42(2)90)49(83-71(99)118-77(14,15)16)36-50(84-72(100)119-78(17,18)19)58(64)113-66-55(85-73(101)120-79(20,21)22)62(107-45(5)93)59(105-43(3)91)51(110-66)37-81-69(97)116-75(8,9)10/h39,49-53,55-68H,26-38,40-41H2,1-25H3,(H,81,97)(H,82,98)(H,83,99)(H,84,100)(H,85,101)(H,86,102)/t49-,50+,51-,52+,53-,55-,56-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+/m1/s1