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(carboxymethyl)amino]ethyl]amino]ethanoic acid

Systemtic Name: 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(carboxymethyl)amino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[bis(carboxymethyl)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]acetic acid CAS Name: 2-[2-[bis(carboxymethyl)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 IUPAC Name: 2-[2-[bis(carboxymethyl)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]acetic acid Traditional Name: 2-[2-[bis(carboxymethyl)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 Formula: C44H43N11O11 MolecularWeight: 901.87932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C3=C(C=C2)NC(=C3)C(=O)NNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)C4=CC5=C(N4)C=CC6=C5CCN6C(=O)C7=CC8=C(N7)C=CC9=C8CCN9C(=O)N

Isomeric SMILES

C1CN(C2=C1C3=C(C=C2)NC(=C3)C(=O)NNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)C4=CC5=C(N4)C=CC6=C5CCN6C(=O)C7=CC8=C(N7)C=CC9=C8CCN9C(=O)N

InChI

InChI=1S/C44H43N11O11/c45-44(66)55-12-9-24-27-17-33(48-30(27)3-6-36(24)55)43(65)54-11-8-23-26-16-32(47-29(26)2-5-35(23)54)42(64)53-10-7-22-25-15-31(46-28(25)1-4-34(22)53)41(63)50-49-37(56)18-51(19-38(57)58)13-14-52(20-39(59)60)21-40(61)62/h1-6,15-17,46-48H,7-14,18-21H2,(H2,45,66)(H,49,56)(H,50,63)(H,57,58)(H,59,60)(H,61,62)