L-Phenylalanine, L-leucyl-, methyl ester
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Basic information
- CAS
38155-18-9- Standard SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C- InChIKey
DJBPSNXKZLENEZ-KBPBESRZSA-N- Molecular formula
- C16H24N2O3
- Average molar mass
- 292.37 g/mol
- Monoisotopic mass
- 292.17869263
Names & identifiers
- Preferred name
- L-Phenylalanine, L-leucyl-, methyl ester
- IUPAC
- methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoate
- English name
- L-Phenylalanine, N-L-leucyl-, methyl ester
- Molecular formula
- C16H24N2O3
- Molecular weight
- 292.37
Names & synonyms
38155-18-9L-Phenylalanine, L-leucyl-, methyl ester(S)-Methyl 2-((S)-2-amino-4-methylpentanamido)-3-phenylpropanoateSCHEMBL8217520CHEMBL2013043methyl L-leucyl-L-phenylalaninateDJBPSNXKZLENEZ-KBPBESRZSA-NN-L-leucyl-L-phenylalanine methyl esterMethyl L-leucylphenylalaninateL-Phenylalanine, N-L-leucyl-, methyl esterCarfilzomib Impurity 3 Trifluoroacetic acid
Database identifiers
- CAS
38155-18-9- PubChem CID
- 1549944
- ChEMBL
CHEMBL2013043- Nikkaji
- J650.869C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 457.4 · 457.4±40.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 13.74 · 13.74±0.46(Predicted)
- InChI
- InChI=1S/C16H24N2O3/c1-11(2)9-13(17)15(19)18-14(16(20)21-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,17H2,1-3H3,(H,18,19)/t13-,14-/m0/s1
- InChIKey
- DJBPSNXKZLENEZ-KBPBESRZSA-N
- SMILES
- C(OC)(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)N
Chemistry & industry
Applications
UsesL-Phenylalanine, N-L-leucyl-, methyl ester, commonly named Carfilzomib Impurity 3, is a valuable organic compound that could be used as an impurity reference of Carfilzomib which is used alone and in combination with other medications to treat people with multiple myeloma.
Related reactions
1 records
Compound notes
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