6-(hydroxymethyl)-5-oxidanyl-2-(4-oxidanylidene-4-phenylmethoxy-butan-2-yl)-3-phenylmethoxycarbonyl-3-(tetradecanoylamino)-4-tetradecanoyloxy-oxan-2-olate

Systemtic Name: 6-(hydroxymethyl)-5-oxidanyl-2-(4-oxidanylidene-4-phenylmethoxy-butan-2-yl)-3-phenylmethoxycarbonyl-3-(tetradecanoylamino)-4-tetradecanoyloxy-oxan-2-olate Openeye Name: 3-benzyloxycarbonyl-2-(3-benzyloxy-1-methyl-3-oxo-propyl)-5-hydroxy-6-(hydroxymethyl)-3-(tetradecanoylamino)-4-tetradecanoyloxy-tetrahydropyran-2-olate CAS Name: 5-hydroxy-6-(hydroxymethyl)-2-(4-oxo-4-phenylmethoxybutan-2-yl)-4-(1-oxotetradecoxy)-3-(1-oxotetradecylamino)-3-phenylmethoxycarbonyl-2-oxanolate IUPAC Name: 5-hydroxy-6-(hydroxymethyl)-2-(4-oxo-4-phenylmethoxybutan-2-yl)-3-phenylmethoxycarbonyl-3-(tetradecanoylamino)-4-tetradecanoyloxyoxan-2-olate Traditional Name: 2-(3-benzoxy-3-keto-1-methyl-propyl)-3-carbobenzoxy-5-hydroxy-6-methylol-3-(tetradecanoylamino)-4-tetradecanoyloxy-tetrahydropyran-2-olate Formula: C53H82NO11- MolecularWeight: 909.21828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1(C(C(C(OC1(C(C)CC(=O)OCC2=CC=CC=C2)[O-])CO)O)OC(=O)CCCCCCCCCCCCC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1(C(C(C(OC1(C(C)CC(=O)OCC2=CC=CC=C2)[O-])CO)O)OC(=O)CCCCCCCCCCCCC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C53H82NO11/c1-4-6-8-10-12-14-16-18-20-22-30-36-46(56)54-52(51(60)63-41-44-34-28-25-29-35-44)50(64-47(57)37-31-23-21-19-17-15-13-11-9-7-5-2)49(59)45(39-55)65-53(52,61)42(3)38-48(58)62-40-43-32-26-24-27-33-43/h24-29,32-35,42,45,49-50,55,59H,4-23,30-31,36-41H2,1-3H3,(H,54,56)/q-1