| CAS Number | 73058-37-4 |
| Catalog Number | AG005CJ6(AGN-PC-0OH7SQ) |
| Chemical Name | N-Pyrazinylcarbonyl-L-phenylalanine Methyl Ester |
| IUPAC Name | methyl 3-phenyl-2-(pyrazine-2-carbonylamino)propanoate |
| InChI | InChI=1S/C15H15N3O3/c1-21-15(20)12(9-11-5-3-2-4-6-11)18-14(19)13-10-16-7-8-17-13/h2-8,10,12H,9H2,1H3,(H,18,19) |
| InChI Key | AGZXSMPTQAISJW-UHFFFAOYSA-N |
| MDL Number | MFCD09337861 |
| Molecular Formula | C15H15N3O3 |
| Molecular Weight | 285.2979 |
| SMILES | COC(=O)C(Cc1ccccc1)NC(=O)c2cnccn2 |
| Synonyms | 73058-37-4,
L-Phenylalanine,N-(2-pyrazinylcarbonyl)-, methyl ester,
N-PYRAZINYLCARBONYLPHENYLALANINE METHYL ESTER,
Bortezomib Impurity F,
SCHEMBL3083268,
CTK5D7292,
DTXSID90503277,
AKOS030240858,
MCULE-3623290628,
FT-0674162,
Methyl N-(pyrazine-2-carbonyl)phenylalaninate,
Z33438212,
methyl 3-phenyl-2-[(pyrazin-2-yl)formamido]propanoate,
N-PYRAZINYLCARBONYLPHENYLALANINEMETHYLESTER,
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| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.303g/mol |
| Monoisotopic Mass | 285.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number