Glycylglycine benzyl ester p-toluenesulfonate

C₁₈H₂₂N₂O₆SCAS 1738-82-5394.44 g/mol

Open in Covalent MOL file

Amide Ester Primary amine Sulfonic acid

Properties

Molecular formula: C₁₈H₂₂N₂O₆S
Molar mass: 394.44 g/mol
Exact mass: 394.1199 Da
logP: 1.05Crippen estimate
Polar surface area: 135.8 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 6

Identifiers

CAS number

1738-82-5

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CNC(=O)CN

InChIKey

RWBJLSORGVEMHA-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O3.C7H8O3S/c12-6-10(14)13-7-11(15)16-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,12H2,(H,13,14);2-5H,1H3,(H,8,9,10)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Gly-gly benzyl ester P-toluenesulfonate salt

Work with Glycylglycine benzyl 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

Glycine benzyl ester p-tosylate1738-76-777 % similar L-Aspartic acid dibenzyl ester tosylate2886-33-161 % similar D-Aspartic acid dibenzyl ester tosylate4079-64-561 % similar L-Glutamic acid dibenzyl ester p-toluenesulfonate2791-84-659 % similar D-Alanine benzyl ester p-toluenesulfonate41036-32-257 % similar L-Alanine benzyl ester tosylate42854-62-657 % similar L-Phenylalanine benzyl ester p-toluenesulfonate1738-78-956 % similar Valine benzyl ester 4-toluenesulfonate16652-76-956 % similar

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

Elsewhere

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