(R)-Benzyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate

C₂₀H₂₇NO₅SCAS 17664-93-6393.50 g/mol

Open in Covalent MOL file

Ester Primary amine Sulfonic acid

Properties

Molecular formula: C₂₀H₂₇NO₅S
Molar mass: 393.50 g/mol
Exact mass: 393.1610 Da
logP: 3.34Crippen estimate
Polar surface area: 106.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

17664-93-6

SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C[C@H](C(=O)OCC1=CC=CC=C1)N

InChIKey

QTQGHKVYLQBJLO-UTONKHPSSA-N

InChI

InChI=1S/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t12-;/m1./s1

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

Names and synonyms

1 names

H-D-Leu-obzl P-tosylate

Work with (R)-Benzyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate

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-Phenylalanine benzyl ester p-toluenesulfonate1738-78-980 % similar L-Aspartic acid dibenzyl ester tosylate2886-33-175 % similar D-Aspartic acid dibenzyl ester tosylate4079-64-575 % similar D-Alanine benzyl ester p-toluenesulfonate41036-32-275 % similar L-Alanine benzyl ester tosylate42854-62-675 % similar L-Glutamic acid dibenzyl ester p-toluenesulfonate2791-84-673 % similar Valine benzyl ester 4-toluenesulfonate16652-76-972 % similar Tyrosine benzyl ester tosylate (salt)53587-11-472 % similar

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

Same formula

L-Isoleucine benzyl ester p-toluenesulfonate16652-75-8 L-Leucine benzyl ester p-toluenesulfonate1738-77-8

Elsewhere

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