Basic information
- CAS
101809-75-0- Standard SMILES
Cn1cc(NC(=O)c2nc(NC(=O)CN=C(N)N)cn2C)cc1C(=O)NCCC(=N)N- InChIKey
ZQZPBVXTGJJHBD-UHFFFAOYSA-N- Molecular formula
- C17H25N11O3
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.2141837
Names & identifiers
- Preferred name
- Monoimidazole Lexitropsin
- IUPAC
- N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylimidazole-2-carboxamide
Names & synonyms
Monoimidazole LexitropsinILTCHEMBL1192494Q274614481H-Imidazole-2-carboxamide, 4-[[[(aminoiminomethyl)amino]acetyl]amino]-N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-1-methyl-N-(5-{[(3E)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-4-[(N-carbamimidoylglycyl)amino]-1-methyl-1H-imidazole-2-carboxamideN-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-4-[(2-guanidinoacetyl)amino]-1-methyl-imidazole-2-carboxamide
Database identifiers
- CAS
101809-75-0- PubChem CID
- 150552
- ChEMBL
CHEMBL1192494
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 724
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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