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Home > Nitro Compounds > 247580-43-4
247580-43-4 | L-Phenylalanine, N-(1-naphthalenylcarbonyl)-4-nitro-, methyl ester
CAS No: 247580-43-4 Catalog No: AG002PCP MDL No:
Product Description
Catalog Number:
AG002PCP
Chemical Name:
L-Phenylalanine, N-(1-naphthalenylcarbonyl)-4-nitro-, methyl ester
CAS Number:
247580-43-4
Molecular Formula:
C21H18N2O5
Molecular Weight:
378.3780
IUPAC Name:
methyl (2S)-2-(naphthalene-1-carbonylamino)-3-(4-nitrophenyl)propanoate
InChI:
InChI=1S/C21H18N2O5/c1-28-21(25)19(13-14-9-11-16(12-10-14)23(26)27)22-20(24)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,19H,13H2,1H3,(H,22,24)/t19-/m0/s1
InChI Key:
VMFGCGRAIBLAFY-IBGZPJMESA-N
SMILES:
COC(=O)[C@@H](NC(=O)c1cccc2c1cccc2)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
378.122g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.384g/mol
Monoisotopic Mass:
378.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Graft-versus-host disease reduces regulatory T-cell migration into the tumour tissue. | Immunology 20120901 |
| What is the role of CCR3 in choroidal neovascularization? | Advances in experimental medicine and biology 20120101 |
| Pulmonary epithelial CCR3 promotes LPS-induced lung inflammation by mediating release of IL-8. | Journal of cellular physiology 20110901 |
| CCR3 and choroidal neovascularization. | PloS one 20110101 |
| Selective suppression of Th2-mediated airway eosinophil infiltration by low-molecular weight CCR3 antagonists. | International immunology 20070801 |
| Design and synthesis of novel CCR3 antagonists. | Bioorganic & medicinal chemistry letters 20031020 |
| Discovery of potent and selective phenylalanine derived CCR3 antagonists. Part 1. | Bioorganic & medicinal chemistry letters 20010604 |
| Discovery of potent and selective phenylalanine derived CCR3 receptor antagonists. Part 2. | Bioorganic & medicinal chemistry letters 20010604 |
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