Basic information
- Standard SMILES
Cc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](NS(C)(=O)=O)C5)nc43)[C@H](O)[C@@H]2O)n1- InChIKey
IGZYIWHHSGAPTK-SOJMRJBJSA-N- Molecular formula
- C31H37N11O4S
- Average molar mass
- 659.8 g/mol
- Monoisotopic mass
- 659.27506988
Names & identifiers
- Preferred name
- N-{(R)-1-[9-[(1R,2S,3R,4S)-2,3-Dihydroxy-4-(5-methyl-tetrazol-2-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-yl]-pyrrolidin-3-yl}-methanesulfonamide
- IUPAC
- N-[(3R)-1-[9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(5-methyltetrazol-2-yl)cyclopentyl]-6-(2,2-diphenylethylamino)purin-2-yl]pyrrolidin-3-yl]methanesulfonamide
Names & synonyms
SCHEMBL589551IGZYIWHHSGAPTK-SOJMRJBJSA-NN-{(R)-1-[9-[(1R,2S,3R,4S)-2,3-Dihydroxy-4-(5-methyl-tetrazol-2-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-yl]-pyrrolidin-3-yl}-methanesulfonamideN-{(R)-1-[9-[(1R,2S,3R,4S)-2,3-Dihydroxy-4-(5-methyl-tetrazol-2-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-yl]pyrrolidin-3-yl}-methanesulfonamide
Database identifiers
- PubChem CID
- 11614437
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
1 records
Compound notes
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