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L-Nabe

CAT: 0931-T25748-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25748-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7672-27-7
Target
Others, NO Synthase
Related Pathways
Immunology/Inflammation, Others
Purity
0.9803
Bioactivity
L-Nabe (H-Arg (NO2) -Obzl) is a effective irreversible endothelium dependent relaxation inhibitor.
Smiles
N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)OCc1ccccc1
Molecular Formula
C13H19N5O4
Molecular Weight
309.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N(w)-nitroarginine benzyl ester

H-Arg(NO2)-Obzl is an arginine derivative.

CAS Number7672-27-7
PubChem CID151475
IUPAC Namebenzyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate
Molecular FormulaC13H19N5O4
Molecular Weight309.32
XLogP0.5
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity390
SMILES
C1=CC=C(C=C1)COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N
InChI
InChI=1S/C13H19N5O4/c14-11(7-4-8-16-13(15)17-18(20)21)12(19)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H3,15,16,17)/t11-/m0/s1
InChIKey
FAJFGLZHUIUNSS-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of N(w)-nitroarginine benzyl ester
CAS: 7672-27-7
CID: 151475
Formula: C13H19N5O4
MW: 309.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight309.32
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass309.14370410
Monoisotopic Mass309.14370410
Topological Polar Surface Area149 Ų
Heavy Atom Count22
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes