NG-Nitroarginine Methyl Ester
PubChem CID: 39836
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| Compound Synonyms | L-NAME, NG-NITROARGININE METHYL ESTER, 50903-99-6, N(G)-Nitro-L-arginine methyl ester, N-Nitroarginine methyl ester, N(G)-Nitroarginine methyl ester, Ng-nitro-L-arginine methyl ester, N-omega-Nitro-O-arginine methyl ester, N-Nitro-L-arginine methylester, CHEBI:7549, N(sup G)-Nitro-L-arginine methyl ester, methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate, Arg(NO2)-OMe, Ngamma-Nitro-L-arginine methyl ester, N(omega)-Nitro-L-arginine methyl ester, CHEMBL7890, V55S2QJN2X, methyl Nw-nitro-L-argininate, n-nitro-arginine methyl ester, N(5)-(Imino(nitroamino)methyl)-L-ornithine methyl ester, N-omega-NITRO-L-ARGININE METHYL ESTER, L-NG-nitroarginine methyl ester, L-Ornithine, N(5)-(imino(nitroamino)methyl)-, methyl ester, methyl N(gamma)-nitro-L-argininate, nomega-nitro-l-arginine methyl ester, N(gamma)-Nitro-L-arginine methyl ester, N.OMEGA.-NITRO-L-ARGININE METHYL ESTER, methyl N(5)-(N-nitrocarbamimidoyl)-L-ornithinate, N5-[Imino(nitroamino)methyl]-L-ornithine, methyl ester, methyl (2S)-2-amino-5-(1-nitrocarbamimidamido)pentanoate, methyl (2S)-2-amino-5-[[amino(nitramido)methylene]amino]pentanoate, UNII-V55S2QJN2X, N5-(Imino(nitroamino)methyl)-L-ornithine, methyl ester, NG Nitroarginine Methyl Ester, methyl (2S)-2-amino-5-((amino(nitramido)methylene)amino)pentanoate, Methyl Ester, NG-Nitroarginine, NG Nitro L Arginine Methyl Ester, Methyl Ester, NG-Nitro-L-Arginine, AmbotzHAA5810, N omega Nitro L arginine Methyl Ester, N omega-Nitro-L-arginine Methyl Ester, Tocris-0665, Lopac0_000848, BSPBio_001221, KBioGR_000561, KBioSS_000561, GTPL5213, SCHEMBL3034749, KBio2_000561, KBio2_003129, KBio2_005697, KBio3_001001, KBio3_001002, Bio1_000442, Bio1_000931, Bio1_001420, Bio2_000441, Bio2_000921, HMS1362M03, HMS1792M03, HMS1990M03, omega-nitro-l-arginine methyl ester, HSCI1_000257, Methyl (2S)-2-amino-5-[(amino-nitramido-methylidene)amino]pentanoate, AKOS030213027, AKOS040747206, CCG-204931, DB12750, SDCCGSBI-0050824.P002, IDI1_002196, NCGC00024717-01, NCGC00024717-02, NCGC00024717-03, NCGC00024717-04, NCGC00024717-05, NCGC00024717-07, NCGC00024717-12, TS-08439, N(G)-NITRO-L-ARGININE-METHYL ESTER, C04337, EN300-204407, BRD-K33141550-003-05-7, Q27081090, L-Ornithine, N^5-[imino(nitroamino)methyl]-, methyl ester, methyl (2S)-2-amino-5-(N'-nitrocarbamimidamido)pentanoate, methyl (2S)-2-amino-5-[(N-nitrocarbamimidoyl)amino]pentanoate |
|---|---|
| Topological Polar Surface Area | 149.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 274.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate |
| Prediction Hob | 1.0 |
| Target Id | NPT3517, NPT3974, NPT3569 |
| Xlogp | -1.0 |
| Molecular Formula | C7H15N5O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KCWZGJVSDFYRIX-YFKPBYRVSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -0.894 |
| Rotatable Bond Count | 7.0 |
| Logd | -1.714 |
| Compound Name | NG-Nitroarginine Methyl Ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 233.112 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 233.112 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 233.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.28251360000000003 |
| Inchi | InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1 |
| Smiles | COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eleutherococcus Gracilistylus (Plant) Rel Props:Source_db:cmaup_ingredients