methyl (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2S)-2-(hexadecanoylamino)-3-oxidanylidene-3-phenylmethoxy-propoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2S)-2-(hexadecanoylamino)-3-oxidanylidene-3-phenylmethoxy-propoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2R,4S,5R,6R)-5-acetamido-4-acetoxy-2-[(2S)-3-benzyloxy-2-(hexadecanoylamino)-3-oxo-propoxy]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2S)-3-oxo-2-(1-oxohexadecylamino)-3-phenylmethoxypropoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2S)-2-(hexadecanoylamino)-3-oxo-3-phenylmethoxypropoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2R,4S,5R,6R)-5-acetamido-4-acetoxy-2-[(2S)-3-benzoxy-3-keto-2-palmitamido-propoxy]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C46H70N2O16 MolecularWeight: 907.0518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(COC1(CC(C(C(O1)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C46H70N2O16/c1-8-9-10-11-12-13-14-15-16-17-18-19-23-26-40(54)48-37(44(55)59-28-36-24-21-20-22-25-36)29-60-46(45(56)57-7)27-38(61-33(4)51)41(47-31(2)49)43(64-46)42(63-35(6)53)39(62-34(5)52)30-58-32(3)50/h20-22,24-25,37-39,41-43H,8-19,23,26-30H2,1-7H3,(H,47,49)(H,48,54)/t37-,38-,39+,41+,42+,43+,46+/m0/s1