tert-butyl (2S)-3-[(2R,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-[(2R,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl (2S)-3-[(2R,3R,4R,5R,6R)-3-azido-5-benzyloxy-6-(benzyloxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate CAS Name: (2S)-3-[[(2R,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-6-(phenylmethoxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-[(2R,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[(2R,3R,4R,5R,6R)-3-azido-5-benzoxy-6-(benzoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid tert-butyl ester Formula: C76H80N4O14 MolecularWeight: 1273.4668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(COC1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-])NC(=O)OCC9C1=CC=CC=C1C1=CC=CC=C91

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-])NC(=O)OCC9C1=CC=CC=C1C1=CC=CC=C91

InChI

InChI=1S/C76H80N4O14/c1-76(2,3)94-72(81)63(78-75(82)90-48-62-60-40-24-22-38-58(60)59-39-23-25-41-61(59)62)49-89-73-66(79-80-77)69(67(85-44-54-30-14-6-15-31-54)64(91-73)50-83-42-52-26-10-4-11-27-52)93-74-71(88-47-57-36-20-9-21-37-57)70(87-46-56-34-18-8-19-35-56)68(86-45-55-32-16-7-17-33-55)65(92-74)51-84-43-53-28-12-5-13-29-53/h4-41,62-71,73-74H,42-51H2,1-3H3,(H,78,82)/t63-,64+,65+,66+,67-,68-,69+,70-,71+,73+,74-/m0/s1