α-Tosyl-L-arginine methyl ester

C14H22N4O4SCAS 901-47-3342.41 g/mol

Open in Covalent MOL file
OOHNNHH2NNHSOO
EsterGuanidineSulfonamide

Properties

Molecular formula
C14H22N4O4S
Molar mass
342.41 g/mol
Exact mass
342.1362 Da
logP
0.08Crippen 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
901-47-3
SMILES
COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1
InChIKey
FKMJXALNHKIDOD-LBPRGKRZSA-N
InChI
InChI=1S/C14H22N4O4S/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)/t12-/m0/s1

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Names and synonyms

16 names · show all
  • L-Arginine, N2-[(4-methylphenyl)sulfonyl]-, methyl ester
  • Arginine, N2-(p-tolylsulfonyl)-, methyl ester, L-
  • Arginine, (p-tolylsulfonyl)-, methyl ester
  • TAME (pharmaceutical)
  • α-N-p-Toluenesulfonyl-L-arginine methyl ester
  • Methyl p-toluenesulfonyl-L-argininate
  • Methyl Nα-p-toluenesulfonyl-L-argininate
  • p-Toluenesulfonyl-L-arginine methyl ester
  • p-Tolylsulfonyl-L-arginine methyl ester
  • N1-Tosyl-L-arginine methyl ester
  • p-Tosyl-L-arginine methyl ester
  • N-α-Toluenesulfonyl-L-arginine methyl ester
  • α-N-p-Tosyl-L-arginine methyl ester
  • TAME
  • (S)-Methyl 5-guanidino-2-(4-methylphenylsulfonamido)pentanoate
  • Tosylarginine methyl ester

Work with α-Tosyl-L-arginine methyl ester

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-N-Tosyl-L-arginine methyl ester hydrochloride1784-03-8Salt

Similar compounds

Arginine methyl ester dihydrochloride26340-89-649 % similar Tos-arg-oh1159-15-547 % similar Tosyl-L-lysine chloromethyl ketone2364-87-646 % similar Methyl 2-(4-methylphenylsulfonamido)acetate2645-02-545 % similar N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid4816-80-244 % similar p-N-(7-Amino-1-chloro-2-oxohept-3-yl)toluenesulphonamide4272-74-644 % similar N-Cyclohexyl-4-toluenesulfonamide80-30-843 % 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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