Basic information
- Standard SMILES
CCCCOc1nc(N)c2[nH]c(=O)n(CCCCN(CCCN3CCCC3=O)Cc3cccc(CC(=O)O)c3)c2n1- InChIKey
CFYLXBDLMGSMKA-UHFFFAOYSA-N- Molecular formula
- C29H41N7O5
- Average molar mass
- 567.7 g/mol
Names & identifiers
- Preferred name
- [3-({[4-(6-Amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)butyl][3-(2-oxopyrrolidin-1-yl)propyl]amino}methyl)phenyl]acetic acid
- IUPAC
- 2-[3-[[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl-[3-(2-oxopyrrolidin-1-yl)propyl]amino]methyl]phenyl]acetic acid
Names & synonyms
SCHEMBL2387831CFYLXBDLMGSMKA-UHFFFAOYSA-N[3-({[4-(6-Amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)butyl][3-(2-oxopyrrolidin-1-yl)propyl]amino}methyl)phenyl]acetic acid
Database identifiers
- PubChem CID
- 11664148
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 863
Related reactions
4 records
Compound notes
Loading…