L-Glutamic acid dibenzyl ester p-toluenesulfonate

C26H29NO7SCAS 2791-84-6499.58 g/mol

Open in Covalent MOL file
SOOOHH2NOOOO
EsterPrimary amineSulfonic acid

Properties

Molecular formula
C26H29NO7S
Molar mass
499.58 g/mol
Exact mass
499.1665 Da
Melting point
142 °C
logP
3.82Crippen estimate
Polar surface area
133.0 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
9
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
2791-84-6
SMILES
Cc1ccc(S(=O)(=O)O)cc1.N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIKey
HVZUAIVKRYGQRM-LMOVPXPDSA-N
InChI
InChI=1S/C19H21NO4.C7H8O3S/c20-17(19(22)24-14-16-9-5-2-6-10-16)11-12-18(21)23-13-15-7-3-1-4-8-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17H,11-14,20H2;2-5H,1H3,(H,8,9,10)/t17-;/m0./s1

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Names and synonyms

8 names
  • L-Glutamic acid, 1,5-bis(phenylmethyl) ester, 4-methylbenzenesulfonate (1:1)
  • L-Glutamic acid, bis(phenylmethyl) ester, 4-methylbenzenesulfonate
  • Glutamic acid, dibenzyl ester, p-toluenesulfonate, L-
  • Glutamic acid, dibenzyl ester, p-toluenesulfonate
  • Dibenzyl L-glutamate tosylate
  • L-Glutamic acid dibenzyl ester tosylate
  • Dibenzyl L-glutamate p-toluenesulfonate
  • H-L-Glu(Obzl)-Obzl tosylate salt

Work with L-Glutamic acid dibenzyl ester p-toluenesulfonate

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.

p-Toluenesulfonic acid monohydrate6192-52-5Hydrate p-Toluenesulfonic acid104-15-4Free acid Sodium p-toluenesulfonate657-84-1Salt Pyridinium p-toluenesulfonate24057-28-1Salt Collidinium P-toluenesulfonate59229-09-3Salt Ferric p-toluenesulfonate77214-82-5Salt Trump IR134127-48-3Salt O-Benzylglycine toluene-p-sulphonate1738-76-7Salt L-Alanine benzyl ester tosylate42854-62-6Salt Valine benzyl ester 4-toluenesulfonate16652-76-9Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate2491-17-0Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate4641-47-8Salt

Similar compounds

H-Glu(obzl)-otbu hcl105590-97-454 % similar L-Glutamic acid alpha-benzyl ester13030-09-653 % similar γ-Benzyl L-glutamate1676-73-953 % similar 5-(Phenylmethyl) hydrogen D-glutamate2578-33-853 % similar H-D-Glu-obzl79338-14-053 % similar D-Serine benzyl ester hydrochloride151651-44-445 % similar L-Serine benzyl ester hydrochloride60022-62-045 % similar H-Asp-OBzl7362-93-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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