ethyl 2-[[2-[2-[[6-[[6-[(6-aminocarbonyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]carbonyl]hydrazinyl]-2-oxidanylidene-ethyl]-[2-[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate

Systemtic Name: ethyl 2-[[2-[2-[[6-[[6-[(6-aminocarbonyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]carbonyl]hydrazinyl]-2-oxidanylidene-ethyl]-[2-[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate Openeye Name: ethyl 2-[2-[bis(2-ethoxy-2-oxo-ethyl)amino]ethyl-[2-[2-[6-[6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]hydrazino]-2-oxo-ethyl]amino]acetate CAS Name: 2-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[[[6-[[6-[(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)-oxomethyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]-oxomethyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]-oxomethyl]hydrazo]-2-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[2-[6-[6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]hydrazinyl]-2-oxoethyl]amino]acetate Traditional Name: 2-[2-[bis(2-ethoxy-2-keto-ethyl)amino]ethyl-[2-[N'-[6-[6-(6-carbamoyl-7,8-dihydro-3H-pyrrol[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrol[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrol[3,2-e]indole-2-carbonyl]hydrazino]-2-keto-ethyl]amino]acetic acid ethyl ester Formula: C50H55N11O11 MolecularWeight: 986.0388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CCN(CC(=O)OCC)CC(=O)OCC)CC(=O)NNC(=O)C1=CC2=C(N1)C=CC3=C2CCN3C(=O)C4=CC5=C(N4)C=CC6=C5CCN6C(=O)C7=CC8=C(N7)C=CC9=C8CCN9C(=O)N

Isomeric SMILES

CCOC(=O)CN(CCN(CC(=O)OCC)CC(=O)OCC)CC(=O)NNC(=O)C1=CC2=C(N1)C=CC3=C2CCN3C(=O)C4=CC5=C(N4)C=CC6=C5CCN6C(=O)C7=CC8=C(N7)C=CC9=C8CCN9C(=O)N

InChI

InChI=1S/C50H55N11O11/c1-4-70-44(63)25-57(19-20-58(26-45(64)71-5-2)27-46(65)72-6-3)24-43(62)55-56-47(66)37-21-31-28-13-16-59(40(28)10-7-34(31)52-37)48(67)38-22-32-29-14-17-60(41(29)11-8-35(32)53-38)49(68)39-23-33-30-15-18-61(50(51)69)42(30)12-9-36(33)54-39/h7-12,21-23,52-54H,4-6,13-20,24-27H2,1-3H3,(H2,51,69)(H,55,62)(H,56,66)