chempirical

Benzoyl-L-arginine amide monohydrochloride

C13H20ClN5O2CAS 4299-03-0313.79 g/mol

Open in Covalent MOL file
HClNHH2NHNNHOH2NO
Guanidine

Properties

Molecular formula
C13H20ClN5O2
Molar mass
313.79 g/mol
Exact mass
313.1306 Da
logP
1.58Crippen estimate
Polar surface area
138.6 Ų
H-bond donors / acceptors
6 / 3
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
4299-03-0
SMILES
Cl.N=C(N)NCCC[C@H](N=C(O)c1ccccc1)C(=N)O
InChIKey
PYZACNCNNFUUDO-PPHPATTJSA-N
InChI
InChI=1S/C13H19N5O2.ClH/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H2,14,19)(H,18,20)(H4,15,16,17);1H/t10-;/m0./s1

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Names and synonyms

5 names
  • Benzamide, N-[1-(aminocarbonyl)-4-[(aminoiminomethyl)amino]butyl]-, monohydrochloride, (S)-
  • Benzamide, N-(1-carbamoyl-4-guanidinobutyl)-, monohydrochloride, L-
  • α-N-Benzoyl-L-argininamide hydrochloride
  • NSC 343719
  • N-α-Benzoyl-L-argininamide hydrochloride

Work with Benzoyl-L-arginine amide monohydrochloride

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

Benzoyl-L-arginine154-92-771 % similar N-Benzoyl-L-arginine ethyl ester hydrochloride2645-08-169 % similar Nα-Benzoyl-L-arginine-p-nitroanilide hydrochloride21653-40-761 % similar N-α-Benzoyl-dl-arginine-P-nitroanilide hydrochloride911-77-361 % similar L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)56672-63-056 % similar Benzyloxycarbonyl-L-arginine1234-35-151 % similar N-Benzyloxycarbonyl-D-arginine6382-93-051 % similar D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, hydrochloride (1:1)113712-06-443 % similar

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

Elsewhere

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