methyl (2S,3R,4S)-3-ethenyl-4-[[(4R)-5-(phenylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]methyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Systemtic Name: methyl (2S,3R,4S)-3-ethenyl-4-[[(4R)-5-(phenylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]methyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate Openeye Name: methyl (2S,3R,4S)-4-[[(4R)-5-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]methyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate CAS Name: (2S,3R,4S)-3-ethenyl-4-[[(4R)-5-(phenylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]methyl]-2-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R,4S)-4-[[(4R)-5-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate Traditional Name: (2S,3R,4S)-4-[[(4R)-5-benzyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]methyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester Formula: C37H45N3O13 MolecularWeight: 739.7655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(=CO2)C(=O)OC)CC3C4=C(CCN3CC5=CC=CC=C5)NC=N4)C=C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H](C(=CO2)C(=O)OC)C[C@@H]3C4=C(CCN3CC5=CC=CC=C5)NC=N4)C=C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C37H45N3O13/c1-7-25-26(15-29-31-28(38-19-39-31)13-14-40(29)16-24-11-9-8-10-12-24)27(35(45)46-6)17-48-36(25)53-37-34(51-23(5)44)33(50-22(4)43)32(49-21(3)42)30(52-37)18-47-20(2)41/h7-12,17,19,25-26,29-30,32-34,36-37H,1,13-16,18H2,2-6H3,(H,38,39)/t25-,26+,29-,30-,32-,33+,34-,36+,37+/m1/s1