| CAS Number | 289472-80-6 |
| Catalog Number | AG002X5S(AGN-PC-0O8MM2) |
| Chemical Name | N-[(1S)-2-Amino-2-oxo-1-(phenylmethyl)ethyl]-2-pyrazinecarboxamide |
| IUPAC Name | N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide |
| InChI | InChI=1S/C14H14N4O2/c15-13(19)11(8-10-4-2-1-3-5-10)18-14(20)12-9-16-6-7-17-12/h1-7,9,11H,8H2,(H2,15,19)(H,18,20)/t11-/m0/s1 |
| InChI Key | KTQJEBWLYWKXRA-NSHDSACASA-N |
| MDL Number | MFCD26743605 |
| Molecular Formula | C14H14N4O2 |
| Molecular Weight | 270.2866 |
| SMILES | [C@H](NC(=O)C=1C=NC=CN1)(CC2=CC=CC=C2)C(N)=O |
| Synonyms | 289472-80-6,
(S)-N-(1-Amino-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide,
Bortezomib Impurity A,
Nalpha-(Pyrazine-2-carbonyl)-L-phenylalaninamide,
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide,
SCHEMBL1688075,
DTXSID80736476,
ZINC65727279,
AKOS016844897,
AJ-115559,
AX8254903,
J3.646.588C,
Nalpha-(Pyrazine-2-ylcarbonyl)-L-phenylalaninamide,
J-017332,
N-[(1S)-2-Amino-1-benzyl-2-oxoethyl]pyrazine-2-carboxamide,
2-Pyrazinecarboxamide, N-[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-,
N-[(1S)-2-Amino-2-oxo-1-(phenylmethyl)ethyl]-2-pyrazinecarboxamide,
Pyrazinecarboxamide, N-[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-,
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| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.292g/mol |
| Monoisotopic Mass | 270.112g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 98A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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