[(2R,3R,4S,5R,6R)-6-[[(5S)-16-oxidanylidene-1-azacyclohexadec-5-yl]oxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[[(5S)-16-oxidanylidene-1-azacyclohexadec-5-yl]oxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(5S)-16-oxo-azacyclohexadec-5-yl]oxy]tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(5S)-16-oxo-azacyclohexadec-5-yl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(5S)-16-oxo-azacyclohexadec-5-yl]oxy]oxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[[(5S)-16-keto-azacyclohexadec-5-yl]oxy]tetrahydropyran-2-yl]methyl ester Formula: C49H55NO11 MolecularWeight: 833.9611

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=O)NCCCC(CCCC1)OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCCCCC(=O)NCCC[C@H](CCCC1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C49H55NO11/c51-41-32-20-6-4-2-1-3-5-19-30-39(31-21-33-50-41)57-49-44(61-48(55)38-28-17-10-18-29-38)43(60-47(54)37-26-15-9-16-27-37)42(59-46(53)36-24-13-8-14-25-36)40(58-49)34-56-45(52)35-22-11-7-12-23-35/h7-18,22-29,39-40,42-44,49H,1-6,19-21,30-34H2,(H,50,51)/t39-,40+,42+,43-,44+,49+/m0/s1