NG-nitro-L-arginine methyl ester
Basic information
- CAS
50903-99-6- Standard SMILES
COC(=O)[C@@H](N)CCCN=C(N)N[N+](=O)[O-]- InChIKey
KCWZGJVSDFYRIX-YFKPBYRVSA-N- Molecular formula
- C7H15N5O4
- Average molar mass
- 233.23 g/mol
- Monoisotopic mass
- 233.11240398
Overview
N(gamma)-nitro-L-arginine methyl ester is an alpha-amino acid ester that is the methyl ester of Ngamma-nitro-L-arginine. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a methyl ester, a N-nitro compound, an alpha-amino acid ester and a L-arginine derivative. It is a conjugate base of a N(gamma)-nitro-L-arginine methyl ester(1+).
Names & identifiers
- Preferred name
- NG-nitro-L-arginine methyl ester
- IUPAC
- methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate
- English name
- NG-Nitroarginine Methyl Ester
- Molecular formula
- C7H15N5O4
- Molecular weight
- 233.23
Names & synonyms
L-NAMENG-NITROARGININE METHYL ESTER50903-99-6N(G)-Nitro-L-arginine methyl esterN-Nitroarginine methyl esterNg-nitro-L-arginine methyl esterN(G)-Nitroarginine methyl esterV55S2QJN2Xn-nitro-arginine methyl esterN(5)-(Imino(nitroamino)methyl)-L-ornithine methyl estermethyl (2S)-2-amino-5-(1-nitrocarbamimidamido)pentanoateNG Nitroarginine Methyl Ester
Show more names
ω-Nitroarginine methylη-Nitroarginine methylNG-Nitroarginine methylη-Nitro-L-arginine methylNG-Nitroarginine methyl ester, 10 mM in DMSON5-[Imino(nitroamino)methyl]-L-ornithine methyl esterL-Ornithine, N5-[iMino(nitroaMino)Methyl]-, Methyl esterNGNitroarginine methyl ester,NG Nitroarginine methyl ester
methyl (2S)-2-amino-5-((amino(nitramido)methylene)amino)pentanoatemethyl (2S)-2-amino-5-[[amino(nitramido)methylene]amino]pentanoateMethyl Ester, NG-NitroarginineNG Nitro L Arginine Methyl EsterMethyl Ester, NG-Nitro-L-ArginineN omega Nitro L arginine Methyl EsterN omega-Nitro-L-arginine Methyl EsterRefChem:389146
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 375.47 °C · 375.47°C (rough estimate)
- Density
- 1.3521 · 1.3521 (rough estimate)
- refractive index
- 1.8 · 1.8000 (estimate)
- pka
- 3.83 · 3.83±0.50(Predicted)
- FDA UNII
- 55 S2QJN2X · V55S2QJN2X
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Additional notes
DefinitionChEBI: An alpha-amino acid ester that is the methyl ester of Ngamma-nitro-L-arginine.
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