| CAS Number | 14349-18-9 |
| Catalog Number | AG009C2Q(AGN-PC-0PU3WC) |
| Chemical Name | Glutamine-p-nitrobenzyl ester hydrobromide |
| IUPAC Name | (4-nitrophenyl)methyl (2S)-2,5-diamino-5-oxopentanoate;hydrobromide |
| InChI | InChI=1S/C12H15N3O5.BrH/c13-10(5-6-11(14)16)12(17)20-7-8-1-3-9(4-2-8)15(18)19;/h1-4,10H,5-7,13H2,(H2,14,16);1H/t10-;/m0./s1 |
| InChI Key | VGLIBJJMARZVJI-PPHPATTJSA-N |
| MDL Number | MFCD00136774 |
| Molecular Formula | C12H16BrN3O5 |
| Molecular Weight | 362.1765 |
| SMILES | Br.N[C@@H](CCC(N)=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonyms | 14349-18-9,
H-Gln-p-nitrobenzyl ester HBr,
Glutamine-p-nitrobenzyl ester hydrobromide,
(S)-4-Nitrobenzyl 2,5-diamino-5-oxopentanoate hydrobromide,
H-Gln-p-nitrobenzyl ester . HBr,
C12H15N3O5.HBr,
7142AH,
MFCD00136774,
AKOS015910364,
Glutamine-p-nitrobenzylesterhydrobromide,
AS-49113,
I14-39946,
VGLIBJJMARZVJI-PPHPATTJSA-N,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.18g/mol |
| Monoisotopic Mass | 361.027g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 141A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number