Basic information
- Standard SMILES
CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](NC(=O)Nc6cccnc6)C5)nc43)[C@H](O)[C@@H]2O)n1- InChIKey
UMXXGKIDRGJXRK-YWAMUMRZSA-N- Molecular formula
- C37H41N13O3
- Average molar mass
- 715.8 g/mol
- Monoisotopic mass
- 715.34553222
Names & identifiers
- Preferred name
- 1-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-3-yl-urea
- IUPAC
- 1-[(3R)-1-[6-(2,2-diphenylethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyltetrazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-pyridin-3-ylurea
Names & synonyms
SCHEMBL589051UMXXGKIDRGJXRK-YWAMUMRZSA-N1-((R)-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-3-yl-urea1-((R)-1-{6-(2,2-Diphenyl-ethylamino)-9-[(1R,2S,3R,4S)-4-(5-ethyl-tetrazol-2-yl)-2,3-dihydroxy-cyclopentyl]-9H-purin-2-yl}-pyrrolidin-3-yl)-3-pyridin-3-yl-urea
Database identifiers
- PubChem CID
- 66735777
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
2 records
Compound notes
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