methyl (2S)-2-[[(2R)-3-[[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-oxan-2-yl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-3-[[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-oxan-2-yl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-[[(2S,3R,4S,5S,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]disulfanyl]propanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(2R)-3-[[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-oxanyl]disulfanyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-3-[[(2S,3R,4S,5S,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2R)-2-(tert-butoxycarbonylamino)-3-[[(2S,3R,4S,5S,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4-diacetoxy-6-(acetoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]disulfanyl]propanoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C50H72N2O31S2 MolecularWeight: 1261.23148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)SSCC(C(=O)NC(CO)C(=O)OC)NC(=O)OC(C)(C)C)COC(=O)C)OC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)SSC[C@@H](C(=O)N[C@@H](CO)C(=O)OC)NC(=O)OC(C)(C)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C50H72N2O31S2/c1-20(54)68-16-32-35(71-23(4)57)38(72-24(5)58)41(75-27(8)61)46(78-32)81-36-33(17-69-21(2)55)79-47(42(76-28(9)62)39(36)73-25(6)59)82-37-34(18-70-22(3)56)80-48(43(77-29(10)63)40(37)74-26(7)60)85-84-19-31(52-49(66)83-50(11,12)13)44(64)51-30(15-53)45(65)67-14/h30-43,46-48,53H,15-19H2,1-14H3,(H,51,64)(H,52,66)/t30-,31-,32+,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,46+,47+,48-/m0/s1