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Basic information
- Standard SMILES
O=C(NCCN1CCCCC1)C(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCN4CCCCC4)nc32)[C@H](O)[C@@H]1O- InChIKey
FPCUZAIDLAXJGV-LSHZFYPFSA-N- Molecular formula
- C40H54N10O4
- Average molar mass
- 738.9 g/mol
- Monoisotopic mass
- 738.43295024
Names & identifiers
- Preferred name
- N-{(1S,2R,3S,4R)-4-[6-(2,2-Diphenyl-ethylamino)-2-(2-piperidin-1-yl-ethylamino)-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-N'-(2-piperidin-1-yl-ethyl)-oxalamide
- IUPAC
- N'-[(1S,2R,3S,4R)-4-[6-(2,2-diphenylethylamino)-2-(2-piperidin-1-ylethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]-N-(2-piperidin-1-ylethyl)oxamide
Names & synonyms
SCHEMBL1402071FPCUZAIDLAXJGV-LSHZFYPFSA-NN-{(1S,2R,3S,4R)-4-[6-(2,2-Diphenyl-ethylamino)-2-(2-piperidin-1-yl-ethylamino)-purin-9-yl]-2,3-dihydroxy-cyclopentyl}-N'-(2-piperidin-1-yl-ethyl)-oxalamide
Database identifiers
- PubChem CID
- 67019366
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
1 records
Compound notes
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