Basic information
- CAS
85407-06-3- Standard SMILES
Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)c[nH]3)cn2C)cc1C(=O)NCCC(=N)N- InChIKey
LZLSEBOKXHPYOM-UHFFFAOYSA-N- Molecular formula
- C21H25N9O4
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.20295031
Names & identifiers
- Preferred name
- 1-Nordistamycin A
- IUPAC
- N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[(4-formamido-1H-pyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxamide
Names & synonyms
1-Nordistamycin A85407-06-3DTXSID902346101H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1H-pyrrol-3-yl)-4-(((4-(formylamino)-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[(4-formamido-1H-pyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxamideN-(5-((3-amino-3-iminopropyl)carbamoyl)-1-methylpyrrol-3-yl)-4-((4-formamido-1H-pyrrole-2-carbonyl)amino)-1-methylpyrrole-2-carboxamideRefChem:76646DTXCID20157101CHEMBL1182819N-{5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-(4-formamido-1H-pyrrole-2-carboxamido)-1-methyl-1H-pyrrole-2-carboxamide
Database identifiers
- CAS
85407-06-3- PubChem CID
- 174459
- DTXSID
DTXSID90234610- ChEMBL
CHEMBL1182819
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 794
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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