chempirical

Tosyl phenylalanyl chloromethyl ketone

C17H18ClNO3SCAS 402-71-1351.85 g/mol

Open in Covalent MOL file
SOOHNOCl
Alkyl halideKetoneSulfonamide

Properties

Molecular formula
C17H18ClNO3S
Molar mass
351.85 g/mol
Exact mass
351.0696 Da
logP
2.69Crippen estimate
Polar surface area
63.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
402-71-1
SMILES
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1
InChIKey
MQUQNUAYKLCRME-INIZCTEOSA-N
InChI
InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1

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Names and synonyms

22 names · show all
  • Benzenesulfonamide, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-
  • p-Toluenesulfonamide, N-[α-(chloroacetyl)phenethyl]-, L-
  • Benzenesulfonamide, N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-, (S)-
  • N-[(1S)-3-Chloro-2-oxo-1-(phenylmethyl)propyl]-4-methylbenzenesulfonamide
  • N-Tosyl-L-phenylalanylchloromethane
  • Tosylphenylalanine chloromethyl ketone
  • L-1-Tosylamido-2-phenylethyl chloromethyl ketone
  • L-1-Chloro-4-phenyl-3-p-tolylsulfonamidobutan-2-one
  • Tosylphenylalanylchloromethane
  • α-N-Tosyl-L-phenylalanine chloromethyl ketone
  • L-Tolylsulfonylphenylalanyl chloromethyl ketone
  • Nα-Tosyl-L-phenylalanine chloromethyl ketone
  • N-Tosyl-L-phenylalaninechloromethane
  • L-1-Tosylamide-2-phenylethylchloromethyl ketone
  • N-α-Tosyl-L-phenylalanylchloromethane
  • L-1-Chloro-4-phenyl-3-toluene-p-sulfonamido-2-butanone
  • N-(p-Toluenesulfonyl)-L-phenylalanylchloromethane
  • L-1-Chloro-3-tosylamidyl-4-phenyl-2-butanone
  • N-Tosyl-L-phenylalanyl chloromethyl ketone
  • TPCK
  • N-Tosylphenylalanine chloromethyl ketone
  • (S)-N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide

Work with Tosyl phenylalanyl chloromethyl ketone

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

Tosyl-L-lysine chloromethyl ketone2364-87-663 % similar Nα-P-tosyl-L-lysine chloromethyl ketone hydrochloride4272-74-660 % similar N-Benzyl-P-toluenesulfonamide1576-37-049 % similar 4-Methylbenzenesulfonic acid 2-[2-phenyl-1-(phenylmethyl)ethylidene]hydrazide19816-88-746 % similar N-Cyclohexyl-4-toluenesulfonamide80-30-846 % similar N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid4816-80-245 % similar Tos-arg-oh1159-15-541 % similar N-[(4-Methylphenyl)sulfonyl]glycine1080-44-039 % similar

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

Elsewhere

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