tert-butyl N-[(4aR,6S,7R,8R,8aS)-7-azanyl-6-[(1S,2R,3R,4S,6R)-4,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R,3R,6S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]carbamate

Systemtic Name: tert-butyl N-[(4aR,6S,7R,8R,8aS)-7-azanyl-6-[(1S,2R,3R,4S,6R)-4,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R,3R,6S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]carbamate Openeye Name: tert-butyl N-[(4aR,6S,7R,8R,8aS)-7-amino-6-[(1S,2R,3R,4S,6R)-4,6-bis(tert-butoxycarbonylamino)-3-[(2R,3R,6S)-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]carbamate CAS Name: N-[(4aR,6S,7R,8R,8aS)-7-amino-6-[(1S,2R,3R,4S,6R)-2-hydroxy-4,6-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[(2R,3R,6S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxanyl]oxy]cyclohexyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4aR,6S,7R,8R,8aS)-7-amino-6-[(1S,2R,3R,4S,6R)-2-hydroxy-4,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R,3R,6S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-2-yl]oxycyclohexyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]carbamate Traditional Name: N-[(4aR,6S,7R,8R,8aS)-7-amino-6-[(1S,2R,3R,4S,6R)-4,6-bis(tert-butoxycarbonylamino)-3-[(2R,3R,6S)-3-(tert-butoxycarbonylamino)-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]carbamic acid tert-butyl ester Formula: C50H82N6O17 MolecularWeight: 1039.21608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)NC(=O)OC(C)(C)C)N)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@H]4[C@H](O3)COC(O4)C5=CC=CC=C5)NC(=O)OC(C)(C)C)N)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C50H82N6O17/c1-46(2,3)69-41(58)52-24-27-21-22-28(53-42(59)70-47(4,5)6)39(64-27)66-35-29(54-43(60)71-48(7,8)9)23-30(55-44(61)72-49(10,11)12)36(34(35)57)67-40-32(51)33(56-45(62)73-50(13,14)15)37-31(65-40)25-63-38(68-37)26-19-17-16-18-20-26/h16-20,27-40,57H,21-25,51H2,1-15H3,(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t27-,28+,29-,30+,31+,32+,33+,34-,35+,36-,37+,38?,39+,40+/m0/s1