chempirical

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

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

Similar compounds

L-Aspartic acid dibenzyl ester tosylate2886-33-182 % similar D-Aspartic acid dibenzyl ester tosylate4079-64-582 % similar L-Phenylalanine benzyl ester p-toluenesulfonate1738-78-977 % similar L-Leucine benzyl ester p-toluenesulfonate1738-77-873 % similar Tyrosine benzyl ester tosylate (salt)53587-11-469 % similar D-Alanine benzyl ester p-toluenesulfonate41036-32-269 % similar L-Alanine benzyl ester tosylate42854-62-669 % similar Glycine benzyl ester p-tosylate1738-76-768 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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