methyl (2R,3S,4R,5S,6R)-5-acetamido-2-[(1S,2R)-1-[(2R,3S,4R,5S,6R)-3-acetamido-4-acetyloxy-6-fluoranyl-6-methoxycarbonyl-5-phenylsulfanyl-oxan-2-yl]-1,3-diacetyloxy-propan-2-yl]oxy-4-acetyloxy-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2R,3S,4R,5S,6R)-5-acetamido-2-[(1S,2R)-1-[(2R,3S,4R,5S,6R)-3-acetamido-4-acetyloxy-6-fluoranyl-6-methoxycarbonyl-5-phenylsulfanyl-oxan-2-yl]-1,3-diacetyloxy-propan-2-yl]oxy-4-acetyloxy-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2R,3S,4R,5S,6R)-5-acetamido-2-[(1R,2S)-2-[(2R,3S,4R,5S,6R)-3-acetamido-4-acetoxy-6-fluoro-6-methoxycarbonyl-5-phenylsulfanyl-tetrahydropyran-2-yl]-2-acetoxy-1-(acetoxymethyl)ethoxy]-4-acetoxy-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2R,3S,4R,5S,6R)-5-acetamido-2-[(1S,2R)-1-[(2R,3S,4R,5S,6R)-3-acetamido-4-acetyloxy-6-fluoro-6-methoxycarbonyl-5-(phenylthio)-2-oxanyl]-1,3-diacetyloxypropan-2-yl]oxy-4-acetyloxy-3-(phenylthio)-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,4R,5S,6R)-5-acetamido-2-[(1S,2R)-1-[(2R,3S,4R,5S,6R)-3-acetamido-4-acetyloxy-6-fluoro-6-methoxycarbonyl-5-phenylsulfanyloxan-2-yl]-1,3-diacetyloxypropan-2-yl]oxy-4-acetyloxy-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2R,3S,4R,5S,6R)-5-acetamido-2-[(1R,2S)-2-[(2R,3S,4R,5S,6R)-3-acetamido-4-acetoxy-6-carbomethoxy-6-fluoro-5-(phenylthio)tetrahydropyran-2-yl]-2-acetoxy-1-(acetoxymethyl)ethoxy]-4-acetoxy-3-(phenylthio)-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C50H61FN2O23S2 MolecularWeight: 1141.147343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(COC(=O)C)C(C2C(C(C(C(O2)(C(=O)OC)F)SC3=CC=CC=C3)OC(=O)C)NC(=O)C)OC(=O)C)SC4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)O[C@H](COC(=O)C)[C@H]([C@H]2[C@@H]([C@H]([C@@H]([C@@](O2)(C(=O)OC)F)SC3=CC=CC=C3)OC(=O)C)NC(=O)C)OC(=O)C)SC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C50H61FN2O23S2/c1-24(54)52-37-41(75-49(51,47(63)65-10)45(43(37)72-31(8)61)77-33-18-14-12-15-19-33)40(71-30(7)60)36(23-68-27(4)57)74-50(48(64)66-11)46(78-34-20-16-13-17-21-34)44(73-32(9)62)38(53-25(2)55)42(76-50)39(70-29(6)59)35(69-28(5)58)22-67-26(3)56/h12-21,35-46H,22-23H2,1-11H3,(H,52,54)(H,53,55)/t35-,36-,37+,38+,39-,40-,41-,42-,43-,44-,45+,46+,49-,50-/m1/s1