deformyldistamycin
4-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
Also Known As: deformyldistamycin|2-Mercaptoethylgluconamide|N''-(2-Amidinoethyl)-4-amino-1,1',1''-trimethyl-N,4':N',4''-ter(pyrrole-2-carboxamide) monohydrochloride|4-amino-n-{5-[(5-{[(3z)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1h-pyrrol-3-yl)carbamoyl]-1-methyl-1h-pyrrol-3-yl}-1-methyl-1h-pyrrole-2-carboxamide hydrochloride(1:1)|N,4':N',4''-Ter(pyrrole-2-carboxamide), N''-(2-amidinoethyl)-4-amino-1,1',1''-trimethyl-, monohydrochloride|4-[[4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-N-(2-carbamimidoylethyl)-1-methyl-pyrrole-2-carboxamide hydrochloride|4-Amino-N-[5-({5-[(3-amino-3-iminopropyl)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-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide hydrochloride
| Molecular Formula | C21H28ClN9O3 |
|---|---|
| Molecular Weight | 489.20038 g/mol |
| LogP | 1.26657 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.20038 |
| Monoisotopic Mass | 489.20038 |
| Heavy Atoms | 34 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 4512-61-2 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)N.Cl |
| InChIKey | ULTHWRXVHDNLCK-UHFFFAOYSA-N |
Product Overview
deformyldistamycin (CAS 4512-61-2), with molecular formula C21H28ClN9O3 and molecular weight 489.20038 g/mol. IUPAC: 4-amino-N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;hydrochloride.