| CAS Number | 1132709-15-9 |
| Catalog Number | AG008WR0(AGN-PC-0WAJMC) |
| Chemical Name | ((R)-3-Methyl-1-((R)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid |
| IUPAC Name | [(1R)-3-methyl-1-[[(2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid |
| InChI | InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1 |
| InChI Key | GXJABQQUPOEUTA-WBVHZDCISA-N |
| MDL Number | MFCD26940312 |
| Molecular Formula | C19H25BN4O4 |
| Molecular Weight | 384.2372 |
| SMILES | CC(C)C[C@@H](B(O)O)NC([C@H](NC(C1=NC=CN=C1)=O)CC2=CC=CC=C2)=O |
| Synonyms | 1132709-15-9,
((R)-3-Methyl-1-((R)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid,
SCHEMBL8049740,
DTXSID10732163,
AKOS016844849,
ZINC169993369,
AK133348,
AX8254899,
J3.646.587E,
N-[(1R)-1-Borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide,
Nalpha-(Pyrazine-2-ylcarbonyl)-N-[(R)-1-dihydroxyboryl-3-methylbutyl]-D-phenylalaninamide,
Bortezomib 1R, 2R Isomer,
GXJABQQUPOEUTA-WBVHZDCISA-N,
CS-O-31035,
B-[(1R)-3-Methyl-1-[[(2R)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)amino]propyl]amino]butyl]boronic Acid,
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| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.197g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.243g/mol |
| Monoisotopic Mass | 384.197g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number