α-N-Tosyl-L-arginine methyl ester hydrochloride

C14H23ClN4O4SCAS 1784-03-8378.87 g/mol

Open in Covalent MOL file
OOHNNHH2NNHSOOHCl
EsterGuanidineSulfonamide

Properties

Molecular formula
C14H23ClN4O4S
Molar mass
378.87 g/mol
Exact mass
378.1129 Da
logP
0.50Crippen estimate
Polar surface area
134.4 Ų
H-bond donors / acceptors
4 / 5
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
1784-03-8
SMILES
COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1.Cl
InChIKey
JIQFFACVQXXHMY-YDALLXLXSA-N
InChI
InChI=1S/C14H22N4O4S.ClH/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16;/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17);1H/t12-;/m0./s1

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Names and synonyms

6 names
  • L-Arginine, N2-[(4-methylphenyl)sulfonyl]-, methyl ester, hydrochloride (1:1)
  • Arginine, N2-(p-tolylsulfonyl)-, methyl ester, monohydrochloride, L-
  • L-Arginine, N2-[(4-methylphenyl)sulfonyl]-, methyl ester, monohydrochloride
  • Nα-Tosyl-L-arginine methyl ester hydrochloride
  • Tosyl-L-arginine methyl ester hydrochloride
  • Tosylarginine methyl ester hydrochloride

Work with α-N-Tosyl-L-arginine methyl 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

α-Tosyl-L-arginine methyl ester901-47-3Free base

Similar compounds

Arginine methyl ester dihydrochloride26340-89-654 % similar p-N-(7-Amino-1-chloro-2-oxohept-3-yl)toluenesulphonamide4272-74-649 % similar Tos-arg-oh1159-15-545 % similar Tosyl-L-lysine chloromethyl ketone2364-87-644 % similar Arginine ethyl ester dihydrochloride36589-29-443 % similar Methyl 2-(4-methylphenylsulfonamido)acetate2645-02-543 % similar N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid4816-80-242 % similar Methyl 2-([[3,5-di(trifluoromethyl)phenyl]sulfonyl]amino)-4-(methylthio)butanoate175202-21-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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