[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(1S)-1-[(1R)-1-chloranylethyl]-3-[[5-(2-dimethylaminoethyloxy)-1H-indol-2-yl]carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(1S)-1-[(1R)-1-chloranylethyl]-3-[[5-(2-dimethylaminoethyloxy)-1H-indol-2-yl]carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-4,5-diacetoxy-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[5-(2-dimethylaminoethyloxy)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[[5-(2-dimethylaminoethyloxy)-1H-indol-2-yl]-oxomethyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[5-(2-dimethylaminoethyloxy)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-4,5-diacetoxy-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[5-(2-dimethylaminoethyloxy)-1H-indole-2-carbonyl]-1,2-dihydrobenz[e]indol-5-yl]oxy]-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C53H62ClN3O20 MolecularWeight: 1096.52048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C2=C1C3=CC=CC=C3C(=C2)OC4C(C(C(C(O4)COC(=O)C)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C6=CC7=C(N6)C=CC(=C7)OCCN(C)C)Cl

Isomeric SMILES

C[C@H]([C@@H]1CN(C2=C1C3=CC=CC=C3C(=C2)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C6=CC7=C(N6)C=CC(=C7)OCCN(C)C)Cl

InChI

InChI=1S/C53H62ClN3O20/c1-25(54)37-22-57(51(65)39-20-33-19-34(15-16-38(33)55-39)66-18-17-56(9)10)40-21-41(35-13-11-12-14-36(35)44(37)40)74-52-49(72-31(7)63)48(71-30(6)62)46(43(75-52)24-68-27(3)59)77-53-50(73-32(8)64)47(70-29(5)61)45(69-28(4)60)42(76-53)23-67-26(2)58/h11-16,19-21,25,37,42-43,45-50,52-53,55H,17-18,22-24H2,1-10H3/t25-,37+,42-,43-,45+,46-,47+,48+,49-,50-,52+,53+/m1/s1