[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-6-methoxy-4-(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-6-methoxy-4-(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-4-acetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-4-benzoyloxy-6-methoxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4R,5R,6S)-5-acetamido-3-[[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]-4-acetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]-4-benzoyloxy-6-methoxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R,6S)-5-acetamido-3-[[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]-4-acetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]-4-benzoyloxy-6-methoxy-tetrahydropyran-2-yl]methyl ester Formula: C49H61N3O21S2 MolecularWeight: 1092.14614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC)COC(=O)C2=CC=CC=C2)SC3C(C(C(C(O3)COC(=O)C)SC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)COC(=O)C2=CC=CC=C2)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C49H61N3O21S2/c1-23(53)50-36-41(73-46(62)32-18-14-11-15-19-32)43(34(70-47(36)63-9)22-66-45(61)31-16-12-10-13-17-31)74-49-38(52-25(3)55)42(69-30(8)60)44(35(72-49)21-65-27(5)57)75-48-37(51-24(2)54)40(68-29(7)59)39(67-28(6)58)33(71-48)20-64-26(4)56/h10-19,33-44,47-49H,20-22H2,1-9H3,(H,50,53)(H,51,54)(H,52,55)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,47+,48+,49+/m1/s1