KEGG   COMPOUND: C02088Help
Entry
C02088                      Compound                               

Name
Tos-Phe-CH2Cl;
TPCK;
N-Tosyl-L-phenylalanyl chloromethyl ketone
Formula
C17H18ClNO3S
Exact mass
351.0696
Mol weight
351.8477
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 402-71-1
PubChem: 5173
ChEBI: 9642
ChEMBL: CHEMBL60718
PDB-CCD: TQ8[PDBj]
NIKKAJI: J59.695G
KCF data Show

ATOM        23
            1   C8x C    30.5200  -17.0800
            2   C8y C    30.5200  -18.4800
            3   C8x C    31.7324  -19.1800
            4   C8x C    32.9449  -18.4800
            5   C8y C    32.9449  -17.0800
            6   C8x C    31.7324  -16.3800
            7   C1a C    34.1760  -16.3690
            8   S4a S    29.3076  -19.1800
            9   N1b N    28.0951  -18.4800
            10  C1c C    26.8827  -19.1800
            11  C5a C    25.6703  -18.4800
            12  C1b C    24.4578  -19.1800
            13  X   Cl   23.2454  -18.4800
            14  O3c O    30.0076  -20.3924
            15  O3c O    28.6076  -20.3924
            16  C1b C    26.8827  -20.5800
            17  C8y C    25.6682  -21.2812
            18  C8x C    24.4717  -20.5902
            19  C8x C    23.2592  -21.2901
            20  C8x C    23.2591  -22.6901
            21  C8x C    24.4556  -23.3810
            22  C8x C    25.6681  -22.6812
            23  O5a O    25.6703  -17.0801
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     2   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  14 2
            15    8  15 2
            16   10  16 1 #Up
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   17  22 1
            24   11  23 2

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