tert-butyl (2S)-1-[2-[[2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]amino]-2-oxidanylidene-ethyl]-[2-[2-methylpropyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]ethanoyl]amino]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[2-[[2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]amino]-2-oxidanylidene-ethyl]-[2-[2-methylpropyl-[2,2,2-tris(fluoranyl)ethanoyl]amino]ethanoyl]amino]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[2-[[2-[[(2R,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]amino]-2-oxo-ethyl]-[2-[isobutyl-(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-[[2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]amino]-2-oxoethyl]-[2-[2-methylpropyl-(2,2,2-trifluoro-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[2-[[2-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]-2-oxoethyl]-[2-[2-methylpropyl-(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[[2-[[(2R,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]amino]-2-keto-ethyl]-[2-[isobutyl-(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C47H67F3N4O23 MolecularWeight: 1113.04309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)N(CC(=O)NC1C(C(C(C(O1)COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CC(=O)N3CCCC3C(=O)OC(C)(C)C)C(=O)C(F)(F)F

Isomeric SMILES

CC(C)CN(CC(=O)N(CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CC(=O)N3CCC[C@H]3C(=O)OC(C)(C)C)C(=O)C(F)(F)F

InChI

InChI=1S/C47H67F3N4O23/c1-22(2)16-53(45(66)47(48,49)50)18-34(63)52(19-35(64)54-15-13-14-30(54)43(65)77-46(10,11)12)17-33(62)51-42-40(72-28(8)60)38(70-26(6)58)37(31(74-42)20-67-23(3)55)76-44-41(73-29(9)61)39(71-27(7)59)36(69-25(5)57)32(75-44)21-68-24(4)56/h22,30-32,36-42,44H,13-21H2,1-12H3,(H,51,62)/t30-,31+,32+,36+,37+,38-,39-,40+,41+,42+,44-/m0/s1