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1602-41-1 | L-Glutamine, N2-(2,4-dinitrophenyl)-
CAS No: 1602-41-1 Catalog No: AG001RRH MDL No:
Product Description
Catalog Number:
AG001RRH
Chemical Name:
L-Glutamine, N2-(2,4-dinitrophenyl)-
CAS Number:
1602-41-1
Molecular Formula:
C11H12N4O7
Molecular Weight:
312.2356
IUPAC Name:
(2S)-5-amino-2-(2,4-dinitroanilino)-5-oxopentanoic acid
InChI:
InChI=1S/C11H12N4O7/c12-10(16)4-3-8(11(17)18)13-7-2-1-6(14(19)20)5-9(7)15(21)22/h1-2,5,8,13H,3-4H2,(H2,12,16)(H,17,18)/t8-/m0/s1
InChI Key:
OLIFDVJRECUYJH-QMMMGPOBSA-N
SMILES:
NC(=O)CC[C@@H](C(=O)O)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
216-496-9
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
312.071g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
312.238g/mol
Monoisotopic Mass:
312.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthetic allergen design reveals the significance of moderate affinity epitopes in mast cell degranulation. | ACS chemical biology 20121116 |
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