Basic information
- Standard SMILES
CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCNCC4)nc32)C(O)C1O- InChIKey
LFSOSCRHXHQDSV-DJLRKKJSSA-N- Molecular formula
- C36H46N10O5
- Average molar mass
- 698.8 g/mol
Names & identifiers
- Preferred name
- 9-((1R,4S)-2,3-Dihydroxy-4-propionylamino-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid [2-(3-piperidin-4-yl-ureido)-ethyl]-amide
- IUPAC
- 9-[(1R,4S)-2,3-dihydroxy-4-(propanoylamino)cyclopentyl]-6-(2,2-diphenylethylamino)-N-[2-(piperidin-4-ylcarbamoylamino)ethyl]purine-2-carboxamide
Names & synonyms
SCHEMBL2091078LFSOSCRHXHQDSV-DJLRKKJSSA-N9-((1R,4S)-2,3-Dihydroxy-4-propionylamino-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid [2-(3-piperidin-4-yl-ureido)-ethyl]-amide
Database identifiers
- PubChem CID
- 67274696
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
1 records
Compound notes
Loading…