[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3-acetyloxy-6-[(2R,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxy]-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3-acetyloxy-6-[(2R,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxy]-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3-acetoxy-6-[(1R,2S)-3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methyl-3-oxo-propoxy]-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-3,4-dibenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3-acetyloxy-6-[(2R,3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]oxy-4-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methoxy]-3,4-dibenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3-acetyloxy-6-[(2R,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,4-dibenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3-acetoxy-6-[(1R,2S)-3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-keto-1-methyl-propoxy]-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-3,4-dibenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C76H85N3O28 MolecularWeight: 1488.4914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC4C(C(C(C(O4)COC5C(C(C(C(O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)NC(=O)C)OC(=O)C)OC9C(C(C(C(O9)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)NC(=O)C)OC(=O)C)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C76H85N3O28/c1-39(58(71(90)107-76(9,10)11)79-75(91)95-35-54-52-33-23-21-31-50(52)51-32-22-24-34-53(51)54)96-73-60(78-41(3)81)65(106-74-67(100-46(8)86)66(99-45(7)85)63(98-44(6)84)55(103-74)36-92-42(4)82)61(97-43(5)83)57(102-73)38-94-72-59(77-40(2)80)64(105-70(89)49-29-19-14-20-30-49)62(104-69(88)48-27-17-13-18-28-48)56(101-72)37-93-68(87)47-25-15-12-16-26-47/h12-34,39,54-67,72-74H,35-38H2,1-11H3,(H,77,80)(H,78,81)(H,79,91)/t39-,55-,56-,57-,58+,59-,60-,61+,62-,63+,64-,65-,66+,67-,72-,73+,74+/m1/s1