[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-2-methyl-6-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[2-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]sulfanylethanoylamino]propyl]amino]propylamino]-2-oxidanylidene-ethyl]sulfanyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-2-methyl-6-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[2-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]sulfanylethanoylamino]propyl]amino]propylamino]-2-oxidanylidene-ethyl]sulfanyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4R,5R,6S)-4,5-diacetoxy-6-[2-[3-[tert-butoxycarbonyl-[3-[[2-[(2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]sulfanylacetyl]amino]propyl]amino]propylamino]-2-oxo-ethyl]sulfanyl-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-2-methyl-6-[[2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[3-[[1-oxo-2-[[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]thio]ethyl]amino]propyl]amino]propylamino]-2-oxoethyl]thio]-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-2-methyl-6-[2-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[[2-[(2S,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]sulfanylacetyl]amino]propyl]amino]propylamino]-2-oxoethyl]sulfanyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4R,5R,6S)-4,5-diacetoxy-6-[[2-[3-[tert-butoxycarbonyl-[3-[[2-[[(2S,3R,4R,5S,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]thio]acetyl]amino]propyl]amino]propylamino]-2-keto-ethyl]thio]-2-methyl-tetrahydropyran-3-yl] ester Formula: C39H61N3O18S2 MolecularWeight: 924.04094

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)SCC(=O)NCCCN(CCCNC(=O)CSC2C(C(C(C(O2)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)SCC(=O)NCCCN(CCCNC(=O)CS[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C39H61N3O18S2/c1-20-30(54-22(3)43)32(56-24(5)45)34(58-26(7)47)36(52-20)61-18-28(49)40-14-12-16-42(38(51)60-39(9,10)11)17-13-15-41-29(50)19-62-37-35(59-27(8)48)33(57-25(6)46)31(21(2)53-37)55-23(4)44/h20-21,30-37H,12-19H2,1-11H3,(H,40,49)(H,41,50)/t20-,21-,30-,31-,32+,33+,34+,35+,36-,37-/m0/s1