N-[(4aR,6R,7R,8R,8aS)-6-azido-2-(4-methoxyphenyl)-8-[(2S,3S,4R,5R,6S)-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-methyl-oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]ethanamide

Systemtic Name: N-[(4aR,6R,7R,8R,8aS)-6-azido-2-(4-methoxyphenyl)-8-[(2S,3S,4R,5R,6S)-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-methyl-oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]ethanamide Openeye Name: N-[(4aR,6R,7R,8R,8aS)-6-azido-2-(4-methoxyphenyl)-8-[(2S,3S,4R,5R,6S)-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-methyl-tetrahydropyran-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide CAS Name: N-[(4aR,6R,7R,8R,8aS)-6-azido-2-(4-methoxyphenyl)-8-[[(2S,3S,4R,5R,6S)-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-methyl-2-oxanyl]oxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide IUPAC Name: N-[(4aR,6R,7R,8R,8aS)-6-azido-2-(4-methoxyphenyl)-8-[(2S,3S,4R,5R,6S)-3,4,5-tris[(4-methoxyphenyl)methoxy]-6-methyloxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide Traditional Name: N-[(4aR,6R,7R,8R,8aS)-6-azido-2-(4-methoxyphenyl)-8-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(p-anisyloxy)tetrahydropyran-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide Formula: C46H54N4O13 MolecularWeight: 870.93996

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC3C2OC(OC3)C4=CC=C(C=C4)OC)N=[N+]=[N-])NC(=O)C)OCC5=CC=C(C=C5)OC)OCC6=CC=C(C=C6)OC)OCC7=CC=C(C=C7)OC

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]3[C@H]2OC(OC3)C4=CC=C(C=C4)OC)N=[N+]=[N-])NC(=O)C)OCC5=CC=C(C=C5)OC)OCC6=CC=C(C=C6)OC)OCC7=CC=C(C=C7)OC

InChI

InChI=1S/C46H54N4O13/c1-27-39(56-23-29-7-15-33(52-3)16-8-29)42(57-24-30-9-17-34(53-4)18-10-30)43(58-25-31-11-19-35(54-5)20-12-31)46(60-27)63-41-38(48-28(2)51)44(49-50-47)61-37-26-59-45(62-40(37)41)32-13-21-36(55-6)22-14-32/h7-22,27,37-46H,23-26H2,1-6H3,(H,48,51)/t27-,37+,38+,39+,40+,41+,42+,43-,44+,45?,46-/m0/s1