tert-butyl N-[(1S,2S,3S,4R,5R)-3-azanyl-4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-oxan-2-yl]oxy-2-[(2R,3R,6S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-5-[[(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-butanoyl]amino]cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[(1S,2S,3S,4R,5R)-3-azanyl-4-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-oxan-2-yl]oxy-2-[(2R,3R,6S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-5-[[(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-butanoyl]amino]cyclohexyl]carbamate Openeye Name: tert-butyl N-[(3S)-4-[[(1R,2R,3S,4S,5S)-3-amino-2-[(2S,3R,4R,5S,6R)-3,4-bis(tert-butoxycarbonylamino)-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-(tert-butoxycarbonylamino)-4-[(2R,3R,6S)-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-yl]oxy-cyclohexyl]amino]-3-hydroxy-4-oxo-butyl]carbamate CAS Name: N-[(2R,3R,6S)-2-[(1S,2S,3R,4R,6S)-2-amino-3-[[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxanyl]oxy]-4-[[(2S)-2-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]oxy-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-oxanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R,3R,6S)-2-[(1S,2S,3R,4R,6S)-2-amino-3-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]oxy-4-[[(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate Traditional Name: N-[(3S)-4-[[(1R,2R,3S,4S,5S)-3-amino-2-[(2S,3R,4R,5S,6R)-3,4-bis(tert-butoxycarbonylamino)-5-hydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-(tert-butoxycarbonylamino)-4-[(2R,3R,6S)-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-yl]oxy-cyclohexyl]amino]-3-hydroxy-4-keto-butyl]carbamic acid tert-butyl ester Formula: C52H94N8O20 MolecularWeight: 1151.34436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(C(=O)NC1CC(C(C(C1OC2C(C(C(C(O2)CO)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N)OC3C(CCC(O3)CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC[C@@H](C(=O)N[C@@H]1C[C@@H]([C@H]([C@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N)O[C@@H]3[C@@H](CC[C@H](O3)CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C52H94N8O20/c1-47(2,3)75-41(65)54-22-21-30(62)38(64)56-28-23-29(58-44(68)78-50(10,11)12)37(73-39-27(57-43(67)77-49(7,8)9)20-19-26(71-39)24-55-42(66)76-48(4,5)6)32(53)36(28)74-40-34(60-46(70)80-52(16,17)18)33(35(63)31(25-61)72-40)59-45(69)79-51(13,14)15/h26-37,39-40,61-63H,19-25,53H2,1-18H3,(H,54,65)(H,55,66)(H,56,64)(H,57,67)(H,58,68)(H,59,69)(H,60,70)/t26-,27+,28+,29-,30-,31+,32-,33+,34+,35+,36-,37+,39+,40+/m0/s1