chempirical

N-Benzoyl-L-arginine ethyl ester hydrochloride

C15H23ClN4O3CAS 2645-08-1342.82 g/mol

Open in Covalent MOL file
OOHNNHH2NNHOHCl
EsterGuanidine

Properties

Molecular formula
C15H23ClN4O3
Molar mass
342.82 g/mol
Exact mass
342.1459 Da
Melting point
121–123 °C
logP
1.61Crippen estimate
Polar surface area
120.8 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2645-08-1
SMILES
CCOC(=O)[C@H](CCCNC(=N)N)N=C(O)c1ccccc1.Cl
InChIKey
HIXDELXKSSLIKB-YDALLXLXSA-N
InChI
InChI=1S/C15H22N4O3.ClH/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18);1H/t12-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • L-Arginine, N2-benzoyl-, ethyl ester, hydrochloride (1:1)
  • Arginine, N2-benzoyl-, ethyl ester, monohydrochloride, L-
  • L-Arginine, N2-benzoyl-, ethyl ester, monohydrochloride
  • α-N-Benzoyl-L-arginine ethyl ester hydrochloride
  • Ethyl N-benzoyl-α-arginine hydrochloride
  • N-α-Benzoyl-L-arginine ethyl ester hydrochloride
  • NSC 86159

Work with N-Benzoyl-L-arginine ethyl ester hydrochloride

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-arginine amide monohydrochloride4299-03-069 % similar Benzoyl-L-arginine154-92-767 % similar Ethyl-nα-lauroyl-L-arginate hydrochloride60372-77-264 % similar Nα-Benzoyl-L-arginine-p-nitroanilide hydrochloride21653-40-758 % similar N-α-Benzoyl-dl-arginine-P-nitroanilide hydrochloride911-77-358 % similar L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)56672-63-058 % similar Arginine ethyl ester dihydrochloride36589-29-458 % similar N-Benzoyl-L-tyrosine ethyl ester3483-82-755 % similar

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

Elsewhere

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