tert-butyl N-[[(2S,3S,4R,5R,6R)-6-[(2S,3S,4R,5R)-5-[(1R,2R,3S,5R,6S)-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,3R,4R,5S,6R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-[[tert-butyl(dimethyl)silyl]methyl]-4-oxidanyl-oxolan-3-yl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-bis(oxidanyl)oxan-2-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[(2S,3S,4R,5R,6R)-6-[(2S,3S,4R,5R)-5-[(1R,2R,3S,5R,6S)-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2R,3R,4R,5S,6R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-cyclohexyl]oxy-2-[[tert-butyl(dimethyl)silyl]methyl]-4-oxidanyl-oxolan-3-yl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-bis(oxidanyl)oxan-2-yl]methyl]carbamate Openeye Name: tert-butyl N-[[(2R,3S,4R,5R,6R)-6-[(1R,2R,3S,4R,6S)-4,6-bis(tert-butoxycarbonylamino)-2-[(2R,3R,4S,5S)-4-[(2R,3R,4R,5S,6S)-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-[[tert-butyl(dimethyl)silyl]methyl]-3-hydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-cyclohexoxy]-5-(tert-butoxycarbonylamino)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl]carbamate CAS Name: N-[(2R,3R,4R,5S,6S)-2-[[(2S,3S,4R,5R)-2-[[tert-butyl(dimethyl)silyl]methyl]-5-[(1R,2R,3S,5R,6S)-2-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxanyl]oxy]-6-hydroxy-3,5-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]oxy-4-hydroxy-3-oxolanyl]oxy]-4,5-dihydroxy-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-oxanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R,3R,4R,5S,6S)-2-[(2S,3S,4R,5R)-2-[[tert-butyl(dimethyl)silyl]methyl]-5-[(1R,2R,3S,5R,6S)-2-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-6-hydroxy-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-4-hydroxyoxolan-3-yl]oxy-4,5-dihydroxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate Traditional Name: N-[[(2R,3S,4R,5R,6R)-6-[(1R,2R,3S,4R,6S)-4,6-bis(tert-butoxycarbonylamino)-2-[(2R,3R,4S,5S)-4-[(2R,3R,4R,5S,6S)-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-5-[[tert-butyl(dimethyl)silyl]methyl]-3-hydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-cyclohexoxy]-5-(tert-butoxycarbonylamino)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl]carbamic acid tert-butyl ester Formula: C59H108N6O24Si MolecularWeight: 1313.60012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1C(C(C(C(O1)OC2C(CC(C(C2OC3C(C(C(O3)C[Si](C)(C)C(C)(C)C)OC4C(C(C(C(O4)CNC(=O)OC(C)(C)C)O)O)NC(=O)OC(C)(C)C)O)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)C[Si](C)(C)C(C)(C)C)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CNC(=O)OC(C)(C)C)O)O)NC(=O)OC(C)(C)C)O)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O)O

InChI

InChI=1S/C59H108N6O24Si/c1-53(2,3)84-47(72)60-25-30-36(67)38(69)33(64-51(76)88-57(13,14)15)44(78-30)81-41-29(63-50(75)87-56(10,11)12)24-28(62-49(74)86-55(7,8)9)35(66)43(41)83-46-40(71)42(32(80-46)27-90(22,23)59(19,20)21)82-45-34(65-52(77)89-58(16,17)18)39(70)37(68)31(79-45)26-61-48(73)85-54(4,5)6/h28-46,66-71H,24-27H2,1-23H3,(H,60,72)(H,61,73)(H,62,74)(H,63,75)(H,64,76)(H,65,77)/t28-,29+,30-,31+,32-,33-,34-,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46+/m1/s1