[1-[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]oxyethyl]-1,2,3-triazol-4-yl]methyl 6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]hexanoate

Systemtic Name: [1-[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]oxyethyl]-1,2,3-triazol-4-yl]methyl 6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]hexanoate Openeye Name: [1-[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]oxyethyl]triazol-4-yl]methyl 6-[[(2S)-2-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]hexanoate CAS Name: 6-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]hexanoic acid [1-[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]oxy]ethyl]-4-triazolyl]methyl ester IUPAC Name: [1-[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]oxyethyl]triazol-4-yl]methyl 6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]hexanoate Traditional Name: 6-[[(2S)-2-(tert-butoxycarbonylamino)-3-(tritylthio)propanoyl]amino]hexanoic acid [1-[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]oxyethyl]triazol-4-yl]methyl ester Formula: C64H81N5O23S MolecularWeight: 1320.41264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OCCN2C=C(N=N2)COC(=O)CCCCCNC(=O)C(CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)OC6C(C(C(C(O6)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)OCCN2C=C(N=N2)COC(=O)CCCCCNC(=O)[C@@H](CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C64H81N5O23S/c1-38(70)81-35-50-53(84-40(3)72)55(85-41(4)73)58(88-44(7)76)61(90-50)91-54-51(36-82-39(2)71)89-60(57(87-43(6)75)56(54)86-42(5)74)80-32-31-69-33-48(67-68-69)34-83-52(77)29-21-14-22-30-65-59(78)49(66-62(79)92-63(8,9)10)37-93-64(45-23-15-11-16-24-45,46-25-17-12-18-26-46)47-27-19-13-20-28-47/h11-13,15-20,23-28,33,49-51,53-58,60-61H,14,21-22,29-32,34-37H2,1-10H3,(H,65,78)(H,66,79)/t49-,50-,51-,53-,54-,55+,56+,57-,58-,60-,61+/m1/s1