Basic information
- Standard SMILES
CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)N[C@@H]4CCN(c5ccccn5)C4)nc32)[C@H](O)[C@@H]1O.O=C(O)C(F)(F)F- InChIKey
JAWJFWPQKJMRNG-UFXBXOSLSA-N- Molecular formula
- C42H48F3N11O7
- Average molar mass
- 875.9 g/mol
Names & identifiers
- Preferred name
- 9-((1R,2S,3R,4S)-2,3-dihydroxy-4-propionylamino-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid {2-[3-((R)-1-pyridin-2-yl-pyrrolidin-3-yl)-ureido]-ethyl}-amide trifluoroacetate
- IUPAC
- 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(propanoylamino)cyclopentyl]-6-(2,2-diphenylethylamino)-N-[2-[[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]carbamoylamino]ethyl]purine-2-carboxamide;2,2,2-trifluoroacetic acid
Names & synonyms
9-((1R,2S,3R,4S)-2,3-dihydroxy-4-propionylamino-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid {2-[3-((R)-1-pyridin-2-yl-pyrrolidin-3-yl)-ureido]-ethyl}-amide trifluoroacetate
Database identifiers
- PubChem CID
- 86622650
Properties
Computed structural properties
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 14
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,350
Related reactions
1 records
Compound notes
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