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Home> Hot Product Listed L   > L-Lysine,N2-[(4-methylphenyl)sulfonyl]-, methyl ester
21037-26-3 structure

L-Lysine,N2-[(4-methylphenyl)sulfonyl]-, methyl ester

Iupac Name:(2R,3S,4S)-5-(4,5-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol
CAS No.:21037-26-3
Molecular Weight:359.426
Molecular Formula:C97H150N28O32 (isomer)
Names and Identifiers
Synonyms

AC1L4MLA AC1Q6U0N AJ-35732 a-N-Toluene-p-sulfonyl-L-lysine methyl ester a-Tosyl-L-lysine methyl ester LP064186 Lysine, N2-(p-tolylsulfonyl)-,methyl ester, L- (8CI) Lysine,N2-(p-tolylsulfonyl)-, methyl ester (6CI,7CI) methyl (2s)-6-amino-2-(4-methylbenzenesulfonamido)hexanoate methyl (2s)-6-amino-2-[(4-methylphenyl)sulfonylamino]hexanoate methyl n2-[(4-methylphenyl)sulfonyl]-l-lysinate n(2)-((4-methylphenyl)sulfonyl)-l-lysine, methyl ester N2-Tosyl-L-lysine methyl ester N-a-p-Tosyl-L-lysine methyl ester N-a-Tosyl-L-lysine methyl ester Na-Tosyl-L-lysine methyl ester N-Tosyl-L-lysine methyl ester n-tosyllysine methyl ester N-Tosyllysine methylester p-toluenesulfonyllysine methyl ester SCHEMBL4649241 tlme tosyl-l-lysine methyl ester Tosyllysine methyl ester ZINC2391153

Inchi
InChI=1S/C19H25N3O4/c1-12-8-15(20-10-17(24)19(26)18(25)11-23)16(9-13(12)2)22-21-14-6-4-3-5-7-14/h3-9,17-20,23-26H,10-11H2,1-2H3/t17-,18+,19-/m0/s1
InChkey
NARUXRZZSJCXFJ-OTWHNJEPSA-N
Canonical Smiles
CC1=CC(=C(C=C1C)N=NC2=CC=CC=C2)NCC(C(C(CO)O)O)O
Isomers Smiles
CC1=CC(=C(C=C1C)N=NC2=CC=CC=C2)NC[C@@H]([C@@H]([C@@H](CO)O)O)O
Properties
Density
1.389
Vapour
1.08E-17mmHg at 25°C
Refractive Index
1.603
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:359.426g/mol
  • Molecular Formula:C97H150N28O32
  • Compound Is Canonicalized:True
  • Exact Mass:359.185
  • Monoisotopic Mass:359.185
  • Complexity:431
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:118A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAYCAAADBzhmAYywILAAgCC AiRCQACCAAAhAgAIiIAIdIgLcCLAkZGUYAhnkADZyAfwkIIOiAAAQAAQACAQAACAACAAQAAAAAAA AA==
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