(2S,3S,4S,5R,6S)-6-[[(1S)-1-[(1R)-1-chloranylethyl]-3-[[5-(2-dimethylaminoethyloxy)-1H-indol-2-yl]carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[[(1S)-1-[(1R)-1-chloranylethyl]-3-[[5-(2-dimethylaminoethyloxy)-1H-indol-2-yl]carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[5-(2-dimethylaminoethyloxy)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[[5-(2-dimethylaminoethyloxy)-1H-indol-2-yl]-oxomethyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[5-(2-dimethylaminoethyloxy)-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[[(1S)-1-[(1R)-1-chloroethyl]-3-[5-(2-dimethylaminoethyloxy)-1H-indole-2-carbonyl]-1,2-dihydrobenz[e]indol-5-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C33H36ClN3O9 MolecularWeight: 654.10664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C2=C1C3=CC=CC=C3C(=C2)OC4C(C(C(C(O4)C(=O)O)O)O)O)C(=O)C5=CC6=C(N5)C=CC(=C6)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)C(=O)O)O)O)O)C(=O)C5=CC6=C(N5)C=CC(=C6)OCCN(C)C)Cl

InChI

InChI=1S/C33H36ClN3O9/c1-16(34)21-15-37(31(41)23-13-17-12-18(8-9-22(17)35-23)44-11-10-36(2)3)24-14-25(19-6-4-5-7-20(19)26(21)24)45-33-29(40)27(38)28(39)30(46-33)32(42)43/h4-9,12-14,16,21,27-30,33,35,38-40H,10-11,15H2,1-3H3,(H,42,43)/t16-,21+,27+,28+,29-,30+,33-/m1/s1