Basic information
- Standard SMILES
COC(=O)CCC(NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1)C(=O)OC- InChIKey
WWYZIXUUERDREV-UHFFFAOYSA-N- Molecular formula
- C22H25N5O6
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.18048353
Names & identifiers
- Preferred name
- Dimethyl 2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
- IUPAC
- dimethyl 2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate
Names & synonyms
SCHEMBL8855175SCHEMBL19623246DB-064086
Database identifiers
- PubChem CID
- 136166097
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 779
Related reactions
1 records
Compound notes
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