methyl (2S,3R,4S)-3-ethenyl-4-[2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-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-[2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-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-[2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl]-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-[2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-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)-3-ethenyl-4-[2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-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-[2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl]-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: C37H44N2O16 MolecularWeight: 772.74906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(=CO2)C(=O)OC)CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)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)CC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)OC)C=C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C37H44N2O16/c1-8-23-25(14-30(44)39-28(35(46)48-7)13-22-15-38-27-12-10-9-11-24(22)27)26(34(45)47-6)16-50-36(23)55-37-33(53-21(5)43)32(52-20(4)42)31(51-19(3)41)29(54-37)17-49-18(2)40/h8-12,15-16,23,25,28-29,31-33,36-38H,1,13-14,17H2,2-7H3,(H,39,44)/t23-,25+,28+,29-,31-,32+,33-,36+,37+/m1/s1