H-D-Arg(no2)-ome hcl

C₇H₁₆ClN₅O₄CAS 50912-92-0269.69 g/mol

Open in Covalent MOL file

Ester Guanidine Nitro Primary amine

Properties

Molecular formula: C₇H₁₆ClN₅O₄
Molar mass: 269.69 g/mol
Exact mass: 269.0891 Da
logP: -1.22Crippen estimate
Polar surface area: 145.9 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

50912-92-0

SMILES

COC(=O)[C@@H](CCCN=C(N)N[N+](=O)[O-])N.Cl

InChIKey

QBNXAGZYLSRPJK-NUBCRITNSA-N

InChI

InChI=1S/C7H15N5O4.ClH/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);1H/t5-;/m1./s1

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Work with H-D-Arg(no2)-ome hcl

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Nitroarginine methyl ester hydrochloride51298-62-5

Similar compounds

N'-Nitro-D-arginine66036-77-962 % similar H-D-Arg-ome 2hcl78851-84-062 % similar L-Glutamine methyl ester hydrochloride32668-14-750 % similar D-Glutamine methyl ester hydrochloride74817-54-250 % similar (S)-Methyl 2,5-diaminopentanoate dihydrochloride40216-82-849 % similar Methyl L-lysinate dihydrochloride26348-70-948 % similar D-Lysine methyl ester dihydrochloride67396-08-148 % similar H-Arg(pbf)-ome hcl257288-19-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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