N-alpha-Benzoyl-L-arginine ethyl ester hydrochloride

C15H23ClN4O3CAS 2645-08-1342.82 g/mol

Open in Covalent MOL file
OONNH2H2NNHOHCl
AmideEsterGuanidine

Properties

Molecular formula
C15H23ClN4O3
Molar mass
342.82 g/mol
Exact mass
342.1459 Da
Melting point
121–123 °C
logP
0.82Crippen estimate
Polar surface area
119.8 Ų
H-bond donors / acceptors
3 / 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.

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Identifiers

CAS number
2645-08-1
SMILES
CCOC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=CC=CC=C1.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-arginine154-92-761 % similar Ethyl-Nalpha-lauroyl-L-arginate hydrochloride60372-77-261 % similar Nα-Benzoyl-L-arginine-p-nitroanilide hydrochloride21653-40-754 % similar N-alpha-Benzoyl-DL-arginine-p-nitroanilide hydrochloride911-77-354 % similar Diethyl N-(4-aminobenzoyl)-L-glutamate13726-52-852 % similar N-Benzoyl-L-tyrosine ethyl ester3483-82-752 % similar L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)56672-63-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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