[N'-[2-[[4-[[4-[[4-[[4-(2-bromanylprop-2-enoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]carbamimidoyl]azanium chloride

Systemtic Name: [N'-[2-[[4-[[4-[[4-[[4-(2-bromanylprop-2-enoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]carbamimidoyl]azanium chloride Openeye Name: [N'-[2-[[4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]ethyl]carbamimidoyl]ammonium chloride CAS Name: [amino-[2-[[[4-[[[4-[[[4-[[[4-[(2-bromo-1-oxoprop-2-enyl)amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]ethylimino]methyl]ammonium chloride IUPAC Name: [N'-[2-[[4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]ethyl]carbamimidoyl]azanium chloride Traditional Name: [N'-[2-[[4-[[4-[[4-[[4-[(2-bromoacryloyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]ethyl]amidino]ammonium chloride Formula: C30H36BrClN12O5 MolecularWeight: 760.04124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCN=C([NH3+])N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(=C)Br.[Cl-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCN=C([NH3+])N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(=C)Br.[Cl-]

InChI

InChI=1S/C30H35BrN12O5.ClH/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33;/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35);1H