N-(3-azanyl-3-azanylidene-propyl)-5-[[4-[[4-[[4-[[bis(2-bromoethyl)amino]-(phenylcarbonyl)amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-5-[[4-[[4-[[4-[[bis(2-bromoethyl)amino]-(phenylcarbonyl)amino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-5-[[4-[[4-[[4-[benzoyl-[bis(2-bromoethyl)amino]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-2-methyl-pyrazole-3-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-5-[[[4-[[[4-[[[4-[benzoyl-[bis(2-bromoethyl)amino]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-5-[[4-[[4-[[4-[benzoyl-[bis(2-bromoethyl)amino]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-2-methylpyrazole-3-carboxamide Traditional Name: N-(3-amino-3-imino-propyl)-5-[[4-[[4-[[4-[benzoyl-[bis(2-bromoethyl)amino]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-2-methyl-pyrazole-3-carboxamide Formula: C37H43Br2N13O5 MolecularWeight: 909.62942

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=NN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)C4=CC(=CN4C)N(C(=O)C5=CC=CC=C5)N(CCBr)CCBr

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=NN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)C4=CC(=CN4C)N(C(=O)C5=CC=CC=C5)N(CCBr)CCBr

InChI

InChI=1S/C37H43Br2N13O5/c1-47-20-24(44-35(55)29-18-26(22-49(29)3)52(51(14-11-38)15-12-39)37(57)23-8-6-5-7-9-23)16-27(47)34(54)43-25-17-28(48(2)21-25)36(56)45-32-19-30(50(4)46-32)33(53)42-13-10-31(40)41/h5-9,16-22H,10-15H2,1-4H3,(H3,40,41)(H,42,53)(H,43,54)(H,44,55)(H,45,46,56)