chempirical

N-Alpha-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

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
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

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Names and synonyms

8 names
  • N-Benzoyl-L-arginine ethyl ester hydrochloride
  • 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-Alpha-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-Nalpha-lauroyl-L-arginate hydrochloride60372-77-264 % similar Nα-Benzoyl-L-arginine-p-nitroanilide hydrochloride21653-40-758 % similar N-Alpha-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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