1-Homodistamycin A
Basic information
- CAS
85406-98-0- Standard SMILES
CCn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(=N)N)n(C)c2)n(C)c1- InChIKey
QUJQOOPOPXECLL-UHFFFAOYSA-N- Molecular formula
- C23H29N9O4
- Average molar mass
- 495.5 g/mol
- Monoisotopic mass
- 495.23425044
Names & identifiers
- Preferred name
- 1-Homodistamycin A
- IUPAC
- N-(3-amino-3-iminopropyl)-4-[[4-[(1-ethyl-4-formamidopyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide
Names & synonyms
1-Homodistamycin A85406-98-0DTXSID002346061H-Pyrrole-2-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carboxyl)-1-methyl-1H-pyrrol-3-yl)-4-(((1-ethyl-4-(formylamino)-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-N-(3-amino-3-iminopropyl)-4-[[4-[(1-ethyl-4-formamidopyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamideN-(3-amino-3-iminopropyl)-4-((4-((1-ethyl-4-formamidopyrrole-2-carbonyl)amino)-1-methylpyrrole-2-carbonyl)amino)-1-methylpyrrole-2-carboxamideRefChem:75945DTXCID90157097CHEMBL1177980N-[5-({5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-ethyl-4-formamido-1H-pyrrole-2-carboxamide
Database identifiers
- CAS
85406-98-0- PubChem CID
- 174455
- DTXSID
DTXSID00234606- ChEMBL
CHEMBL1177980
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 840
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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