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

Systemtic Name: [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[1-(1-chloroethyl)-3-[[5-(1H-indol-2-ylcarbonylamino)-1H-indol-2-yl]carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5S,6S)-3,4,5-triacetoxy-6-[[1-(1-chloroethyl)-3-[5-(1H-indole-2-carbonylamino)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[1-(1-chloroethyl)-3-[[5-[[1H-indol-2-yl(oxo)methyl]amino]-1H-indol-2-yl]-oxomethyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[1-(1-chloroethyl)-3-[5-(1H-indole-2-carbonylamino)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5S,6S)-3,4,5-triacetoxy-6-[[1-(1-chloroethyl)-3-[5-(1H-indole-2-carbonylamino)-1H-indole-2-carbonyl]-1,2-dihydrobenz[e]indol-5-yl]oxy]tetrahydropyran-2-yl]methyl ester Formula: C46H43ClN4O12 MolecularWeight: 879.30622

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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)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8N7)Cl

Isomeric SMILES

CC(C1CN(C2=C1C3=CC=CC=C3C(=C2)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8N7)Cl

InChI

InChI=1S/C46H43ClN4O12/c1-22(47)32-20-51(45(57)36-18-28-16-29(14-15-34(28)50-36)48-44(56)35-17-27-10-6-9-13-33(27)49-35)37-19-38(30-11-7-8-12-31(30)40(32)37)62-46-43(61-26(5)55)42(60-25(4)54)41(59-24(3)53)39(63-46)21-58-23(2)52/h6-19,22,32,39,41-43,46,49-50H,20-21H2,1-5H3,(H,48,56)/t22?,32?,39-,41-,42+,43+,46-/m1/s1