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

Systemtic Name: tert-butyl N-[[(2R,3S,4R,5R,6R)-6-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-4,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-cyclohexyl]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-[(2S,3R,4S,5R)-5-[(1,3-dioxoisoindolin-2-yl)methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-3-hydroxy-cyclohexoxy]-5-(tert-butoxycarbonylamino)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl]carbamate CAS Name: N-[(1S,2R,3R,4S,5R)-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]-3-[[(2S,3R,4S,5R)-5-[(1,3-dioxo-2-isoindolyl)methyl]-3,4-dihydroxy-2-oxolanyl]oxy]-4-hydroxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,2R,3R,4S,5R)-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-3-[(2S,3R,4S,5R)-5-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydroxyoxolan-2-yl]oxy-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate Traditional Name: N-[[(2R,3S,4R,5R,6R)-6-[(1R,2R,3S,4R,6S)-4,6-bis(tert-butoxycarbonylamino)-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(phthalimidomethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-cyclohexoxy]-5-(tert-butoxycarbonylamino)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl]carbamic acid tert-butyl ester Formula: C45H69N5O19 MolecularWeight: 984.05146

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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)CN4C(=O)C5=CC=CC=C5C4=O)O)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)CN4C(=O)C5=CC=CC=C5C4=O)O)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/C45H69N5O19/c1-42(2,3)66-38(58)46-18-24-28(52)30(54)26(49-41(61)69-45(10,11)12)36(62-24)64-32-23(48-40(60)68-44(7,8)9)17-22(47-39(59)67-43(4,5)6)27(51)33(32)65-37-31(55)29(53)25(63-37)19-50-34(56)20-15-13-14-16-21(20)35(50)57/h13-16,22-33,36-37,51-55H,17-19H2,1-12H3,(H,46,58)(H,47,59)(H,48,60)(H,49,61)/t22-,23+,24-,25-,26-,27+,28-,29-,30-,31-,32-,33-,36-,37+/m1/s1