(4-nitrophenyl)methyl N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-oxan-3-yl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-oxan-3-yl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-4,5,6-tribenzyloxy-2-(benzyloxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]carbamate CAS Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-3-oxanyl]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-yl]carbamate Traditional Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-methylol-2-[(2R,3R,4S,5R,6R)-4,5,6-tribenzoxy-2-(benzoxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]carbamic acid (4-nitrobenzyl) ester Formula: C48H52N2O14 MolecularWeight: 880.93148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)NC(=O)OCC7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)OCC7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C48H52N2O14/c51-25-38-41(52)42(53)40(49-48(54)61-30-36-21-23-37(24-22-36)50(55)56)46(62-38)64-43-39(31-57-26-32-13-5-1-6-14-32)63-47(60-29-35-19-11-4-12-20-35)45(59-28-34-17-9-3-10-18-34)44(43)58-27-33-15-7-2-8-16-33/h1-24,38-47,51-53H,25-31H2,(H,49,54)/t38-,39-,40-,41-,42-,43-,44+,45-,46+,47-/m1/s1