N'-Nitro-D-arginine

C₆H₁₃N₅O₄CAS 66036-77-9219.20 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine Nitro Primary amine

Properties

Molecular formula: C₆H₁₃N₅O₄
Molar mass: 219.20 g/mol
Exact mass: 219.0968 Da
logP: -1.73Crippen estimate
Polar surface area: 156.9 Å²
H-bond donors / acceptors: 4 / 5
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

66036-77-9

SMILES

C(C[C@H](C(=O)O)N)CN=C(N)N[N+](=O)[O-]

InChIKey

MRAUNPAHJZDYCK-SCSAIBSYSA-N

InChI

InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m1/s1

Weigh it out

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Names and synonyms

1 names

D-Ornithine, N5-(imino(nitroamino)methyl)-

Work with N'-Nitro-D-arginine

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.

Nitroarginine2149-70-4

Similar compounds

H-D-Arg(no2)-ome hcl50912-92-062 % similar Boc-N'-nitro-L-homoarginine28968-64-156 % similar Acetyllysine692-04-647 % similar Diaminopimelic acid583-93-746 % similar N6-(2,2,2-Trifluoroacetyl)-L-lysine10009-20-844 % similar N5-[(Phenylmethoxy)carbonyl]-L-ornithine3304-51-644 % similar H-D-Cit-oh13594-51-943 % similar Ornithine70-26-842 % similar

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

Elsewhere

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