Basic information
- Standard SMILES
CCCCNC(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1C(=O)NCCCC- InChIKey
DODIBIIIQWVELX-BKQQZYNJSA-N- Molecular formula
- C29H41N9O6
- Average molar mass
- 611.7 g/mol
Names & identifiers
- Preferred name
- N-[5-(6-Aminopurin-9-yl)-2-(N-butylcarbamoyl)-4-hydroxyoxolan-3-yl]-2-[(butylamino)carbonylamino]-3-(4-methoxyphenyl)propanamide
- IUPAC
- (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-butyl-3-[[(2S)-2-(butylcarbamoylamino)-3-(4-methoxyphenyl)propanoyl]amino]-4-hydroxyoxolane-2-carboxamide
Names & synonyms
SCHEMBL11054479DODIBIIIQWVELX-BKQQZYNJSA-N(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-butyl-3-[[(2S)-2-(butylcarbamoylamino)-3-(4-methoxyphenyl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxamideN-[5-(6-Aminopurin-9-yl)-2-(N-butylcarbamoyl)-4-hydroxyoxolan-3-yl]-2-[(butylamino)carbonylamino]-3-(4-methoxyphenyl)propanamideN-n-butyl-1-(6-amino-9H-purin-9-yl)-1,3-dideoxy-3-(N-n-butylcarbamoyl-O-methyl-L-tyrosylamino)-beta-D-ribofuranuronamide
Database identifiers
- PubChem CID
- 476143
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 939
Related reactions
1 records
Compound notes
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