| CAS Number | 6015-79-8 |
| Catalog Number | AG00EGQM(AGN-PC-0SV0V4) |
| Chemical Name | H-Val-P-Nitrobenzyl Ester Hbr |
| IUPAC Name | (4-nitrophenyl)methyl (2S)-2-amino-3-methylbutanoate;hydrobromide |
| InChI | InChI=1S/C12H16N2O4.BrH/c1-8(2)11(13)12(15)18-7-9-3-5-10(6-4-9)14(16)17;/h3-6,8,11H,7,13H2,1-2H3;1H/t11-;/m0./s1 |
| InChI Key | COHPSGRHDCWSGR-MERQFXBCSA-N |
| MDL Number | MFCD00058245 |
| Molecular Formula | C12H17BrN2O4 |
| Molecular Weight | 333.1784 |
| SMILES | N[C@H](C(=O)OCc1ccc(cc1)[N+](=O)[O-])C(C)C.Br |
| Synonyms | H-VAL-P-NITROBENZYL ESTER HBR,
6015-79-8,
L-Valine 4-nitrobenzyl ester hydrobromide,
C12H16N2O4.HBr,
7261AH,
KM0372,
MFCD00058245,
FT-0770430,
L-Valine,(4-nitrophenyl)methyl ester,monohydrobromide(9ci),
H-Val-p-nitrobenzyl ester . HBr,
(S)-4-Nitrobenzyl 2-amino-3-methylbutanoate hydrobromide,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.182g/mol |
| Monoisotopic Mass | 332.037g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number