Brostallicin hydrochloride

4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide;hydrochloride

Also Known As: Brostallicin hydrochloride|Brostallicin|Brostacillin Hydrochloride|PNU 166196|PNU-166196 Hydrochloride|203258-38-2 (HCl salt)|PNU-166196A|HY-16117A|BROSTALLICIN HYDROCHLORIDE [MI]|4-(2-Bromoacrylamido)-N'''-(2-guanidinoethyl)-1,1',1'',1'''-tetramethyl-6N,4':N',4'':N'',4'''-quater(pyrrole-2-carboxamide) hydrochloride|4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide;hydrochloride|4-(2-bromoacrylamido)-N-(5-((5-((5-((2-guanidinoethyl)carbamoyl)-1-methyl-1H-pyrrol-3-yl)carbamoyl)-1-methyl-1H-pyrrol-3-yl)carbamoyl)-1-methyl-1H-pyrrol-3-yl)-1-methyl-1H-pyrrole-2-carboxamide hydrochloride|4-(2-BROMOACRYLAMIDO)-N'''-(2-GUANIDINOETHYL)-1,1',1'',1'''-TETRAMETHYL-N,4':N',4'':N'',4'''-QUATER(PYRROLE-2-CARBOXAMIDE) HYDROCHLORIDE|4-(2-Bromoacrylamido)-N'''-(2-guanidinoethyl)-1,1',1',1'''-tetramethyl-N,4':N',4':N',4'''-quater(pyrrole-2-carboxamide) Hydrochloride|4-(2-Bromoprop-2-enamido)-N-{5-[(5-{[5-({2-[(diaminomethylidene)amino]ethyl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-1-methyl-1H-pyrrole-2-carboxamide--hydrogen chloride (1/1)|4-[[4-[[4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide hydrochloride

Molecular Formula	C30H36BrClN12O5
Molecular Weight	758.18036 g/mol
LogP	2.0696
Topological Polar Surface Area	229.62 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	6
Rotatable Bonds	12
Exact Mass	758.18036
Monoisotopic Mass	758.18036
Heavy Atoms	49
Complexity	1963.8223

Chemical Identifiers

CAS Number	203258-38-2
SMILES	CN1C=C(C=C1C(=O)NCCN=C(N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C(=C)Br.Cl