(2S,3R)-3-[(2R,3S,4S,5R,6S)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-aminocarbonyloxy-oxan-2-yl]oxy-oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(triphenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: (2S,3R)-3-[(2R,3S,4S,5R,6S)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-aminocarbonyloxy-oxan-2-yl]oxy-oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(triphenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: (2S,3R)-3-[(2R,3S,4S,5R,6S)-4,5-diacetoxy-6-(acetoxymethyl)-3-[(2R,3S,4S,5R,6R)-3,5-diacetoxy-6-(acetoxymethyl)-4-carbamoyloxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoic acid CAS Name: (2S,3R)-3-[[(2R,3S,4S,5R,6S)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-carbamoyloxy-2-oxanyl]oxy]-2-oxanyl]oxy]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-[1-(triphenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: (2S,3R)-3-[(2R,3S,4S,5R,6S)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-carbamoyloxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoic acid Traditional Name: (2S,3R)-3-[(2R,3S,4S,5R,6S)-4,5-diacetoxy-6-(acetoxymethyl)-3-[(2R,3S,4S,5R,6R)-3,5-diacetoxy-6-(acetoxymethyl)-4-carbamoyloxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propionic acid Formula: C65H66N4O22 MolecularWeight: 1255.23314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C(=O)O)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)OC9C(C(C(C(O9)COC(=O)C)OC(=O)C)OC(=O)N)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](C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[C@@H](C(=O)O)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)COC(=O)C)OC(=O)C)OC(=O)N)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C65H66N4O22/c1-35(70)80-32-50-54(83-37(3)72)56(85-39(5)74)59(90-61-58(86-40(6)75)57(91-63(66)78)55(84-38(4)73)51(87-61)33-81-36(2)71)62(88-50)89-53(52(60(76)77)68-64(79)82-31-48-46-28-18-16-26-44(46)45-27-17-19-29-47(45)48)49-30-69(34-67-49)65(41-20-10-7-11-21-41,42-22-12-8-13-23-42)43-24-14-9-15-25-43/h7-30,34,48,50-59,61-62H,31-33H2,1-6H3,(H2,66,78)(H,68,79)(H,76,77)/t50-,51+,52-,53-,54+,55+,56-,57-,58-,59-,61+,62-/m0/s1