[(2R,3R,4S,5S,6R)-5-acetyloxy-2-[(2S,3R,4R,5R,6R)-5-acetyloxy-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-pentan-3-yl-amino]ethanoyl-pentan-3-yl-amino]ethanoyloxymethyl]oxan-4-yl]oxy-6-(acetyloxymethyl)-4-[2-[(2-methylpropan-2-yl)oxycarbonyl-pentan-3-yl-amino]ethanoyloxy]oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5S,6R)-5-acetyloxy-2-[(2S,3R,4R,5R,6R)-5-acetyloxy-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-pentan-3-yl-amino]ethanoyl-pentan-3-yl-amino]ethanoyloxymethyl]oxan-4-yl]oxy-6-(acetyloxymethyl)-4-[2-[(2-methylpropan-2-yl)oxycarbonyl-pentan-3-yl-amino]ethanoyloxy]oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5S,6R)-5-acetoxy-2-[(2R,3R,4R,5R,6S)-3-acetoxy-5-azido-2-[[2-[[2-[tert-butoxycarbonyl(1-ethylpropyl)amino]acetyl]-(1-ethylpropyl)amino]acetyl]oxymethyl]-6-[tert-butyl(dimethyl)silyl]oxy-tetrahydropyran-4-yl]oxy-6-(acetoxymethyl)-4-[2-[tert-butoxycarbonyl(1-ethylpropyl)amino]acetyl]oxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5S,6R)-5-acetyloxy-2-[[(2S,3R,4R,5R,6R)-5-acetyloxy-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-pentan-3-ylamino]-1-oxoethyl]-pentan-3-ylamino]-1-oxoethoxy]methyl]-4-oxanyl]oxy]-6-(acetyloxymethyl)-4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-pentan-3-ylamino]-1-oxoethoxy]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-5-acetyloxy-2-[(2S,3R,4R,5R,6R)-5-acetyloxy-3-azido-2-[tert-butyl(dimethyl)silyl]oxy-6-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonyl-pentan-3-ylamino]acetyl]-pentan-3-ylamino]acetyl]oxymethyl]oxan-4-yl]oxy-6-(acetyloxymethyl)-4-[2-[(2-methylpropan-2-yl)oxycarbonyl-pentan-3-ylamino]acetyl]oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6R)-5-acetoxy-2-[(2R,3R,4R,5R,6S)-3-acetoxy-5-azido-2-[[2-[[2-[tert-butoxycarbonyl(1-ethylpropyl)amino]acetyl]-(1-ethylpropyl)amino]acetyl]oxymethyl]-6-[tert-butyl(dimethyl)silyl]oxy-tetrahydropyran-4-yl]oxy-6-(acetoxymethyl)-4-[2-[tert-butoxycarbonyl(1-ethylpropyl)amino]acetyl]oxy-tetrahydropyran-3-yl] ester Formula: C62H100N6O21Si MolecularWeight: 1293.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(CC(=O)OCC1C(C(C(C(O1)O[Si](C)(C)C(C)(C)C)N=[N+]=[N-])OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)CN(C(CC)CC)C(=O)OC(C)(C)C)OC(=O)C3=CC=CC=C3)OC(=O)C)C(=O)CN(C(CC)CC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)N(CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[Si](C)(C)C(C)(C)C)N=[N+]=[N-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)CN(C(CC)CC)C(=O)OC(C)(C)C)OC(=O)C3=CC=CC=C3)OC(=O)C)C(=O)CN(C(CC)CC)C(=O)OC(C)(C)C

InChI

InChI=1S/C62H100N6O21Si/c1-21-41(22-2)66(46(72)32-67(42(23-3)24-4)58(76)87-60(10,11)12)33-47(73)79-36-45-50(80-38(8)70)52(49(64-65-63)56(82-45)89-90(19,20)62(16,17)18)86-57-54(85-55(75)40-30-28-27-29-31-40)53(51(81-39(9)71)44(83-57)35-78-37(7)69)84-48(74)34-68(43(25-5)26-6)59(77)88-61(13,14)15/h27-31,41-45,49-54,56-57H,21-26,32-36H2,1-20H3/t44-,45-,49-,50+,51+,52-,53+,54-,56+,57+/m1/s1