tert-butyl N-[[(1S,2S,4R,5R,6R)-4-[(2R,3S,4R,5R)-5-[(1R,2R,3S,5S,6R)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(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-3-(propylamino)cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[(1S,2S,4R,5R,6R)-4-[(2R,3S,4R,5R)-5-[(1R,2R,3S,5S,6R)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(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-3-(propylamino)cyclohexyl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methyl]carbamate Openeye Name: tert-butyl N-[[(1S,2S,4R,5R,6R)-4-[(2R,3S,4R,5R)-5-[(1R,2R,3S,5S,6R)-2,5-bis(tert-butoxycarbonylamino)-6-[(2R,3R,4R,5S,6R)-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-(propylamino)cyclohexoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-5-(tert-butoxycarbonylamino)-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methyl]carbamate CAS Name: N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-2-[(1R,2R,3R,4S,6S)-2-[[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-[[(1S,2S,4R,5R,6R)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]-2-oxolanyl]oxy]-3,6-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(propylamino)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,4R,5S,6R)-4,5-dihydroxy-2-[(1R,2R,3R,4S,6S)-2-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-[[(1S,2S,4R,5R,6R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3,7-dioxabicyclo[4.1.0]heptan-4-yl]oxy]oxolan-2-yl]oxy-3,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]-4-(propylamino)cyclohexyl]oxy-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl]carbamate Traditional Name: N-[[(1S,2S,4R,5R,6R)-4-[(2R,3S,4R,5R)-5-[(1R,2R,3S,5S,6R)-2,5-bis(tert-butoxycarbonylamino)-6-[(2R,3R,4R,5S,6R)-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-(propylamino)cyclohexoxy]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-5-(tert-butoxycarbonylamino)-3,7-dioxabicyclo[4.1.0]heptan-2-yl]methyl]carbamic acid tert-butyl ester Formula: C56H99N7O23 MolecularWeight: 1238.41836

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CC(C(C(C1NC(=O)OC(C)(C)C)OC2C(C(C(O2)CO)OC3C(C4C(O4)C(O3)CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O)OC5C(C(C(C(O5)CNC(=O)OC(C)(C)C)O)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCN[C@H]1C[C@@H]([C@H]([C@@H]([C@@H]1NC(=O)OC(C)(C)C)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@@H]4[C@@H](O4)[C@@H](O3)CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CNC(=O)OC(C)(C)C)O)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C56H99N7O23/c1-20-21-57-26-22-27(60-47(70)83-53(8,9)10)37(78-42-32(62-49(72)85-55(14,15)16)35(66)34(65)28(74-42)23-58-45(68)81-51(2,3)4)40(31(26)61-48(71)84-54(11,12)13)80-44-36(67)38(30(25-64)76-44)79-43-33(63-50(73)86-56(17,18)19)41-39(77-41)29(75-43)24-59-46(69)82-52(5,6)7/h26-44,57,64-67H,20-25H2,1-19H3,(H,58,68)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H,63,73)/t26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,39-,40+,41+,42+,43+,44-/m0/s1