| CAS Number | 1608986-16-8 |
| Catalog Number | AG001VG0(AGN-PC-0WAGDX) |
| Chemical Name | D-Phenylalanine, N-(2-pyrazinylcarbonyl)- |
| IUPAC Name | (2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid |
| InChI | InChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,17,18)(H,19,20)/t11-/m1/s1 |
| InChI Key | DWYZPDHMMZGQAP-LLVKDONJSA-N |
| MDL Number | MFCD26960588 |
| Molecular Formula | C14H13N3O3 |
| Molecular Weight | 271.2713 |
| SMILES | O=C(O)[C@H](NC(C1=NC=CN=C1)=O)CC2=CC=CC=C2 |
| Synonyms | (R)-3-Phenyl-2-(pyrazine-2-carboxamido)propanoic acid,
1608986-16-8,
CTK8G2033,
MFCD26960588,
ZINC22146066,
(pyrazine-2-carbonyl)-D-phenylalanine,
AKOS025117398,
N-PYRAZINYLCARBONYLPHENYLALANINE,
AJ-81148,
AS-46626,
D-Phenylalanine, N-(2-pyrazinylcarbonyl)-,
I14-34299,
DWYZPDHMMZGQAP-LLVKDONJSA-N,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.276g/mol |
| Monoisotopic Mass | 271.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number