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N-Tosyl-L-phenylalanyl chloromethyl ketone

PubChem CID: 439647

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Compound Synonyms TPCK, 402-71-1, TOSYLPHENYLALANYL CHLOROMETHYL KETONE, N-Tosyl-L-phenylalanyl chloromethyl ketone, N-Tosyl-L-phenylalanine chloromethyl ketone, Tos-Phe-CH2Cl, N-p-Tosyl-L-phenylalanine chloromethyl ketone, L-1-Tosylamido-2-phenylethyl chloromethyl ketone, tosylphenylalanylchloromethane, l-N-(alpha-(Chloroacetyl)phenethyl)-p-toluenesulfonamide, N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide, Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-, CHEBI:9642, (S)-N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide, P598716LJT, Tos-Phe-chloromethylketone, EINECS 206-954-6, NSC-727365, BRN 2895215, Benzenesulfonamide, N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-, (S)-, CHEMBL60718, MLS000028752, DTXSID60883376, p-Toluenesulfonamide, N-(alpha-(chloroacetyl)phenethyl)-, (-)-, N-Tosyl-L-phenylalanylchloromethane, NSC 727365, n-alpha-tosyl-l-phenylalanylchloromethane, SMR000058518, N-TOSYL-L-PHENYLALANINECHLOROMETHANE, L-Chloromethyl (2-phenyl-1-(p-toluenesulphonylamino)ethyl) ketone, TOSYLPHENYLALANINE CHLOROMETHYL KETONE, Benzenesulfonamide, N-((1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-, Benzenesulfonamide, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-, N-TOSYLPHENYLALANINE CHLOROMETHYL KETONE, L-1-Tosylamide-2-phenylethylchloromethyl Ketone, N-.ALPHA.-TOSYL-L-PHENYLALANYLCHLOROMETHANE, L-1-CHLORO-3-TOSYLAMIDYL-4-PHENYL-2-BUTANONE, L-TOLYLSULFONYLPHENYLALANYL CHLOROMETHYL KETONE, N-(P-TOLUENESULFONYL)-L-PHENYLALANYLCHLOROMETHANE, .ALPHA.-N-TOSYL-L-PHENYLALANINE CHLOROMETHYL KETONE, N.ALPHA.-TOSYL-L-PHENYLALANINE CHLOROMETHYL KETONE, L-1-CHLORO-4-PHENYL-3-P-TOLYLSULFONAMIDOBUTAN-2-ONE, L-1-CHLORO-4-PHENYL-3-TOLUENE-P-SULFONAMIDO-2-BUTANONE, MFCD00000935, P-TOLUENESULFONAMIDE, N-(.ALPHA.-(CHLOROACETYL)PHENETHYL)-, L-, Chlorophenyltosylamidobutanone, Tosylphenylalanyl Chloromethane, Chloromethane, Tosylphenylalanyl, N-((2S)-4-chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamide, Benzenesulfonamide, N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-, (S)-, Tosylphenylalanyl chloromethyl ketone, (L)-, Chloromethyl Ketone, Tosylphenylalanyl, Ketone, Tosylphenylalanyl Chloromethyl, Opera_ID_1094, Lopac-T-4376, Tosyl-Phe-CMK (TPCK), Nalpha-Tosyl-L-Phenylalanine Chloromethyl Ketone, Lopac0_001157, BSPBio_001541, KBioGR_000261, KBioSS_000261, L-1-p-Tosylamino-2-phenylethyl chloromethyl ketone, MLS001076075, MLS006010721, SCHEMBL927265, UNII-P598716LJT, cid_439647, Tosyl-L-phenylalanylchloromethane, KBio2_000261, KBio2_002829, KBio2_005397, KBio3_000521, KBio3_000522, BRD5988, N-(p-Toluenesulfonyl)-L-phenylalanine chloromethyl ketone, Bio2_000261, Bio2_000741, DTXCID001022912, HMS1361N03, HMS1791N03, HMS1989N03, HMS3263H15, HMS3402N03, (S)-N-(4-Chloro-3-oxo-1-phenyl-2-butyl)-p-toluenesulfonamide, BRD-5988, Tox21_501157, BDBM50085363, CAS329306, NSC727365, PI-122, AKOS027327594, CCG-205231, LP01157, SDCCGSBI-0051124.P003, IDI1_034011, NCGC00016020-01, NCGC00094419-01, NCGC00094419-02, NCGC00094419-03, NCGC00094419-04, NCGC00094419-05, NCGC00094419-06, NCGC00094419-07, NCGC00261842-01, AS-35326, p-Tosyl-L-phenylalanine chloromethylketone, HY-124379, CS-0086323, EU-0101157, N-P-tosyl-L-phenylalanyl chloromethyl ketone, T2810, C02088, L-1-Tosylamido-2-phenylethylchloromethyl ketone, T 4376, SR-01000076157, Q7827912, SR-01000076157-1, BRD-K07055988-001-02-4, N-p-Tosyl-L-phenylalanine chloromethyl ketone (TPCK), ALPHA-N-TOSYL-L-PHENYLALANINE CHLOROMETHYL KETONE, L-1-TOSYLAMIDE-2-PHENYLETHYL-CHLOROMETHYL KETONE, l-N-(.alpha.-(Chloroacetyl)phenethyl)-p-toluenesulfonamide, (3S)-3-(p-Toluenesulfonyl)amino-1-chloro-4-phenyl-2-butanone, L-([Toluene-4-sulfonamido]-2-phenyl)ethyl chloromethyl ketone, p-Toluenesulfonamide, N-(.alpha.-(chloroacetyl)phenethyl)-, (-)-, P-TOLUENESULFONAMIDE, N-(ALPHA-(CHLOROACETYL)PHENETHYL)-, L-, N-[(1S)-1-benzyl-3-chloro-2-oxo-propyl]-4-methyl-benzenesulfonamide, N-p-Tosyl-L-phenylalanine chloromethyl ketone, >=97% (TLC), powder, Benzenesulfonamide, N-(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl-4-methyl-
Topological Polar Surface Area 71.6
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 475.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P00766, P23946, P08311, P08419, P00761, P02545, n.a., P19838, P42858, P51151, Q16637, P42345, P16473, P25779, P33261, P10636, P0A6C1, P51450, Q16665, P00352, P00784, Q962Y6, Q01453, P97697, Q194T2, P28482, Q03164, P15917, P54132, P15428, P40225, P04637, Q6W5P4, P08684, O75496, P11712, Q96QE3, Q16236, Q6LX38, P87108, P21728, Q8WTS1, O89049, O60240, Q96KQ7, O15648, P32897, Q9UM07, P05177, P11473, Q99700, P9WMR3, P83916, P9WHJ3, P39748, O94782, P49798, Q9UNA4, Q12809, P84022, P11021, Q9HC16, Q14191, Q9NUW8, Q13148, O75874, P37840, Q03431, P05067, P53350, P63092, O95398, Q04206, Q7BGE6, P0DTD1, Q6GPI1
Iupac Name N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
Prediction Hob 1.0
Target Id NPT5013, NPT278, NPT483, NPT163, NPT1197, NPT537, NPT93, NPT940, NPT210, NPT213, NPT51, NPT211, NPT94, NPT796, NPT282, NPT58, NPT151, NPT96, NPT539, NPT1416, NPT109, NPT10, NPT212, NPT2755, NPT208
Xlogp 3.6
Molecular Formula C17H18ClNO3S
Prediction Swissadme 0.0
Inchi Key MQUQNUAYKLCRME-INIZCTEOSA-N
Fcsp3 0.2352941176470588
Logs -3.382
Rotatable Bond Count 7.0
Logd 1.838
Compound Name N-Tosyl-L-phenylalanyl chloromethyl ketone
Prediction Hob Swissadme 0.0
Exact Mass 351.07
Formal Charge 0.0
Monoisotopic Mass 351.07
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 351.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -4.2261879565217395
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
Smiles CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)CCl
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Morinda Citrifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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