Basic information
- Standard SMILES
CCc1nnn(C2CC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CCC(NC(=O)NCc6ccc(C(=O)OC)cc6)C5)nc43)C(O)C2O)n1- InChIKey
SAKAKRVWLAZEPZ-UHFFFAOYSA-N- Molecular formula
- C41H46N12O5
- Average molar mass
- 786.9 g/mol
- Monoisotopic mass
- 786.37141261
Names & identifiers
- IUPAC
- methyl 4-[[[1-[6-(2,2-diphenylethylamino)-9-[4-(5-ethyltetrazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]carbamoylamino]methyl]benzoate
Database identifiers
- PubChem CID
- 77182642
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,320
Related reactions
1 records
Compound notes
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