4-({4-[(1E)-3-(carbamoyl-methylcarbamoyl)prop-1-enyl]phenyl}methyl)-3-(beta-D-gluco-pyranosyloxy)-5-isopropyl-1H-pyrazole
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Basic information
- Standard SMILES
CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(/C=C/CC(=O)N(C)C(N)=O)cc1- InChIKey
NUKNLKNSNRAWFH-GFXOEFIESA-N- Molecular formula
- C25H34N4O8
- Average molar mass
- 518.6 g/mol
Names & identifiers
- Preferred name
- 4-({4-[(1E)-3-(carbamoyl-methylcarbamoyl)prop-1-enyl]phenyl}methyl)-3-(beta-D-gluco-pyranosyloxy)-5-isopropyl-1H-pyrazole
- IUPAC
- (E)-N-carbamoyl-N-methyl-4-[4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenyl]but-3-enamide
Names & synonyms
SCHEMBL3178021NUKNLKNSNRAWFH-GFXOEFIESA-N4-({4-[(1E)-3-(carbamoyl-methylcarbamoyl)prop-1-enyl]phenyl}methyl)-3-(beta-D-gluco-pyranosyloxy)-5-isopropyl-1H-pyrazole4-({4-[(1E)-3-(carbamoyl-methylcarbamoyl)prop-1-enyl]phenyl}methyl)-3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole
Database identifiers
- PubChem CID
- 68539293
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 791
Related reactions
1 records
Compound notes
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