Basic information
- CAS
4939-06-4- Standard SMILES
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ncccc4C(=O)O)cn3C)cn2C)cn1C- InChIKey
GCUQMTSIVXABMV-UHFFFAOYSA-N- Molecular formula
- C30H35N9O6
- Average molar mass
- 617.7 g/mol
- Monoisotopic mass
- 617.27102987
Names & identifiers
- Preferred name
- 2-[[5-[[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyridine-3-carboxylic acid
- IUPAC
- 2-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]pyridine-3-carboxylic acid
Names & synonyms
NSC6943254939-06-4DTXSID50327850NSC-6943252-[[5-[[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]pyridine-3-carboxylic acid2-{[5-({5-[(5-{[3-(Dimethylamino)propyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}pyridine-3-carboxylic acidN-{1-Methyl-2-[1-methyl-2-(1-methyl-2-carboxamido(3-dimethylaminopropyl)-4-pyrrole)-carboxamido-4-pyrrole]carboxamido-4-pyrrolyl}-3-carboxy pyridine-2-carboxamide
Database identifiers
- CAS
4939-06-4- PubChem CID
- 393047
- DTXSID
DTXSID50327850
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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