Nalpha-Tosyl-L-phenylalanine chloromethyl ketone

C₁₇H₁₈ClNO₃SCAS 402-71-1351.85 g/mol

Open in Covalent MOL file

Alkyl halide Ketone Sulfonamide

Properties

Molecular formula: C₁₇H₁₈ClNO₃S
Molar mass: 351.85 g/mol
Exact mass: 351.0696 Da
logP: 2.69Crippen estimate
Polar surface area: 63.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation97.5% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory irritation95% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

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

Names and synonyms

23 names · show all

Tosyl phenylalanyl chloromethyl ketone
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 Nalpha-Tosyl-L-phenylalanine 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

N-((4-Methylphenyl)sulfonyl)-L-phenylalanine13505-32-368 % similar Tosyl-L-lysine chloromethyl ketone2364-87-663 % similar p-N-(7-Amino-1-chloro-2-oxohept-3-yl)toluenesulphonamide4272-74-660 % similar N-Benzyl-p-toluenesulfonamide1576-37-049 % similar (1R,2R)-(-)-N-P-Tosyl-1,2-diphenylethylenediamine144222-34-446 % similar (1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine167316-27-046 % similar 4-Methylbenzenesulfonic acid 2-[2-phenyl-1-(phenylmethyl)ethylidene]hydrazide19816-88-746 % similar N-Cyclohexyl-4-toluenesulfonamide80-30-846 % similar

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

Elsewhere

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