(S)-2-Amino-5-guanidino-N-(4-nitrophenyl)pentanamide dihydrochloride

C12H20Cl2N6O3CAS 40127-11-5367.23 g/mol

Open in Covalent MOL file
NHONH2NH2NNH2N+OO−HClHCl
AmideGuanidineNitroPrimary amine

Properties

Molecular formula
C12H20Cl2N6O3
Molar mass
367.23 g/mol
Exact mass
366.0974 Da
logP
0.76Crippen estimate
Polar surface area
162.7 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
40127-11-5
SMILES
C1=CC(=CC=C1NC(=O)[C@H](CCCN=C(N)N)N)[N+](=O)[O-].Cl.Cl
InChIKey
FBVMDLFQVOFFHS-XRIOVQLTSA-N
InChI
InChI=1S/C12H18N6O3.2ClH/c13-10(2-1-7-16-12(14)15)11(19)17-8-3-5-9(6-4-8)18(20)21;;/h3-6,10H,1-2,7,13H2,(H,17,19)(H4,14,15,16);2*1H/t10-;;/m0../s1

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Names and synonyms

1 names
  • L-Arginine P-nitroanilide dihydrochloride

Work with (S)-2-Amino-5-guanidino-N-(4-nitrophenyl)pentanamide dihydrochloride

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

Similar compounds

Nalpha-(tert-butoxycarbonyl)-L-arginine 4-nitroanilide hydrochloride99306-64-665 % similar Leucine p-nitroanilide4178-93-257 % similar L-Alanine-4-nitroanilide hydrochloride31796-55-156 % similar Nα-Benzoyl-L-arginine-p-nitroanilide hydrochloride21653-40-747 % similar N-Alpha-Benzoyl-DL-arginine-p-nitroanilide hydrochloride911-77-347 % similar Gamma-Glutamyl-p-nitroanilide7300-59-647 % similar H-D-Arg-ome 2hcl78851-84-043 % similar 4,4'-Dinitrocarbanilide587-90-642 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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