| CAS Number | 289472-81-7 |
| Catalog Number | AG002X5R(AGN-PC-0R4ORR) |
| Chemical Name | N-((S)-1-(((S)-1-Hydroxy-3-methylbutyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide |
| IUPAC Name | N-[(2S)-1-[[(1S)-1-hydroxy-3-methylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide |
| InChI | InChI=1S/C19H24N4O3/c1-13(2)10-17(24)23-18(25)15(11-14-6-4-3-5-7-14)22-19(26)16-12-20-8-9-21-16/h3-9,12-13,15,17,24H,10-11H2,1-2H3,(H,22,26)(H,23,25)/t15-,17-/m0/s1 |
| InChI Key | NEIDLJIPMZVISC-RDJZCZTQSA-N |
| MDL Number | MFCD26940315 |
| Molecular Formula | C19H24N4O3 |
| Molecular Weight | 356.4189 |
| SMILES | CC(C)C[C@H](O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2 |
| Synonyms | 289472-81-7,
N-((S)-1-(((S)-1-Hydroxy-3-methylbutyl)amino)-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide,
DTXSID40856381,
ZINC95093216,
AKOS016844880,
(S)-Hydroxy Des(boric Acid) Bortezomib,
AK133354,
AJ-132310,
AX8254905,
N-[(1S)-1-Hydroxy-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-L-phenylalaninamide,
2-Pyrazinecarboxamide, N-[(1S)-2-[[(1S)-1-hydroxy-3-methylbutyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-,
Bortezomib Impurity G,
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| Complexity | 452 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.426g/mol |
| Monoisotopic Mass | 356.185g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number