1H-Pyrrole-2-carboxamide, N-(5-(((2-amino-2-iminoethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride
Basic information
- CAS
23899-29-8- Standard SMILES
Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCC(=N)N- InChIKey
XGCJWVXSIJAQTH-UHFFFAOYSA-N- Molecular formula
- C21H26ClN9O4
- Average molar mass
- 503.9 g/mol
- Monoisotopic mass
- 503.179628
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxamide, N-(5-(((2-amino-2-iminoethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride
- IUPAC
- N-[5-[[5-[(2-amino-2-iminoethyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylpyrrole-2-carboxamide;hydrochloride
Names & synonyms
23899-29-8CHEMBL3251343DTXSID209466931H-Pyrrole-2-carboxamide, N-(5-(((2-amino-2-iminoethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, hydrochloride(5-{[5-({5-[(2-Amino-2-iminoethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)methanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
23899-29-8- PubChem CID
- 212082
- DTXSID
DTXSID20946693- ChEMBL
CHEMBL3251343
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 809
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