H-N-Me-leu-obzl.TosOH

C₂₁H₂₉NO₅SCAS 42807-66-9407.53 g/mol

Open in Covalent MOL file

Ester Secondary amine Sulfonic acid

Properties

Molecular formula: C₂₁H₂₉NO₅S
Molar mass: 407.53 g/mol
Exact mass: 407.1766 Da
logP: 3.61Crippen estimate
Polar surface area: 92.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

42807-66-9

SMILES

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

InChIKey

HQAGSSPEDLUVSS-ZOWNYOTGSA-N

InChI

InChI=1S/C14H21NO2.C7H8O3S/c1-11(2)9-13(15-3)14(16)17-10-12-7-5-4-6-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,11,13,15H,9-10H2,1-3H3;2-5H,1H3,(H,8,9,10)/t13-;/m0./s1

Weigh it out

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

Names and synonyms

1 names

N-Me-leu-obzl P-tosylate

Work with H-N-Me-leu-obzl.TosOH

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 L-Aspartic acid dibenzyl ester tosylate2886-33-1Salt L-Leucine benzyl ester p-toluenesulfonate1738-77-8Salt

Similar compounds

Z-Ser(tos)-ome1492-52-044 % similar N-Cbz-D-leucine28862-79-544 % similar N-Carbobenzoxy-dl-leucine3588-60-144 % similar Benzyl isobutyrate103-28-644 % similar Benzyl (2S)-2-hydroxypropanoate56777-24-341 % similar H-Hyp-obzl hcl62147-27-741 % similar Benzyl (2S)-4-oxoazetidine-2-carboxylate72776-05-740 % similar Benzyl ((S)-2-((tert-butoxycarbonyl)amino)-4-phenylbutanoyl)-L-leucyl-L-phenylalaninate868540-15-240 % similar

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

Elsewhere

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