methyl (2S,4S,5R,6R)-4-acetyloxy-5-azido-2-[(2R,3S)-3-[(2R,3R,4S,6R)-3-azido-4-(4-chlorophenyl)carbonyloxy-6-methoxy-6-methoxycarbonyl-oxan-2-yl]-2,3-bis[(4-chlorophenyl)carbonyloxy]propoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-4-acetyloxy-5-azido-2-[(2R,3S)-3-[(2R,3R,4S,6R)-3-azido-4-(4-chlorophenyl)carbonyloxy-6-methoxy-6-methoxycarbonyl-oxan-2-yl]-2,3-bis[(4-chlorophenyl)carbonyloxy]propoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-4-acetoxy-5-azido-2-[(2R,3S)-3-[(2R,3R,4S,6R)-3-azido-4-(4-chlorobenzoyl)oxy-6-methoxy-6-methoxycarbonyl-tetrahydropyran-2-yl]-2,3-bis[(4-chlorobenzoyl)oxy]propoxy]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-4-acetyloxy-5-azido-2-[(2R,3S)-3-[(2R,3R,4S,6R)-3-azido-4-[(4-chlorophenyl)-oxomethoxy]-6-methoxy-6-methoxycarbonyl-2-oxanyl]-2,3-bis[(4-chlorophenyl)-oxomethoxy]propoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-4-acetyloxy-5-azido-2-[(2R,3S)-3-[(2R,3R,4S,6R)-3-azido-4-(4-chlorobenzoyl)oxy-6-methoxy-6-methoxycarbonyloxan-2-yl]-2,3-bis[(4-chlorobenzoyl)oxy]propoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-4-acetoxy-5-azido-2-[(2R,3S)-3-[(2R,3R,4S,6R)-3-azido-6-carbomethoxy-4-(4-chlorobenzoyl)oxy-6-methoxy-tetrahydropyran-2-yl]-2,3-bis[(4-chlorobenzoyl)oxy]propoxy]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C50H51Cl3N6O22 MolecularWeight: 1194.32594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C1C(C(CC(O1)(C(=O)OC)OCC(C(C2C(C(CC(O2)(C(=O)OC)OC)OC(=O)C3=CC=C(C=C3)Cl)N=[N+]=[N-])OC(=O)C4=CC=C(C=C4)Cl)OC(=O)C5=CC=C(C=C5)Cl)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C[C@](O1)(C(=O)OC)OC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)OC)OC)OC(=O)C3=CC=C(C=C3)Cl)N=[N+]=[N-])OC(=O)C4=CC=C(C=C4)Cl)OC(=O)C5=CC=C(C=C5)Cl)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C

InChI

InChI=1S/C50H51Cl3N6O22/c1-24(60)72-22-36(75-26(3)62)40(76-27(4)63)42-38(56-58-54)34(74-25(2)61)21-50(81-42,48(68)70-6)73-23-37(78-45(65)29-10-16-32(52)17-11-29)41(79-46(66)30-12-18-33(53)19-13-30)43-39(57-59-55)35(20-49(71-7,80-43)47(67)69-5)77-44(64)28-8-14-31(51)15-9-28/h8-19,34-43H,20-23H2,1-7H3/t34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,49+,50-/m0/s1