Basic information
- CAS
21478-11-5- Standard SMILES
CCCCCCCCCCCCCCCCCCN(C(=O)C(C)C)C(CC(=O)NC1=NN(c2ccccc2)C(=O)C1)C(=O)O- InChIKey
JLUISDDIQNPTPU-UHFFFAOYSA-N- Molecular formula
- C35H56N4O5
- Average molar mass
- 612.8 g/mol
- Monoisotopic mass
- 612.4250709
Names & identifiers
- Preferred name
- N-(4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagine
- IUPAC
- 2-[2-methylpropanoyl(octadecyl)amino]-4-oxo-4-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butanoic acid
Names & synonyms
21478-11-5EINECS 244-405-2DTXSID20944073JLUISDDIQNPTPU-UHFFFAOYSA-NN-(4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagineN~2~-(2-Methylpropanoyl)-N~2~-octadecyl-N-(5-oxo-1-phenylpyrazolidin-3-ylidene)asparagine
Database identifiers
- CAS
21478-11-5- PubChem CID
- 89503
- DTXSID
DTXSID20944073- EC Number
- 244-405-2
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 24
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 900
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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