KEGG   COMPOUND: C02828Help
Entry
C02828                      Compound                               

Name
D-Phe-Pro-Arg-CH2Cl
Formula
C21H31ClN6O3
Exact mass
450.2146
Mol weight
450.9622
Structure
Mol fileKCF fileDB searchJmolKegDraw
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KCF data Show

ATOM        31
            1   C8x C    13.5100  -23.2400
            2   C8x C    13.5100  -24.6400
            3   C8x C    14.7224  -25.3400
            4   C8x C    15.9349  -24.6400
            5   C8y C    15.9349  -23.2400
            6   C8x C    14.7224  -22.5400
            7   C1b C    17.1724  -22.5400
            8   C1c C    18.3849  -23.2400
            9   C5a C    19.5973  -22.5400
            10  N1y N    20.8097  -23.2400
            11  C1x C    21.2440  -24.5749
            12  C1x C    22.6440  -24.5727
            13  C1x C    23.0746  -23.2406
            14  C1y C    21.9407  -22.4194
            15  O5a O    19.5973  -21.1400
            16  N1a N    18.3849  -24.6398
            17  C5a C    21.9404  -21.0003
            18  O5a O    20.7051  -20.2871
            19  N1b N    23.1299  -20.3131
            20  C1c C    24.3144  -20.9966
            21  C5a C    25.5068  -20.3076
            22  C1b C    26.6960  -20.9938
            23  X   Cl   27.8860  -20.3062
            24  O5a O    25.5066  -18.9003
            25  C1b C    24.3148  -22.3998
            26  C1b C    25.5088  -23.0888
            27  C1b C    26.6946  -22.4038
            28  N1b N    27.8870  -23.0920
            29  C2c C    29.0756  -22.4054
            30  N1a N    30.2665  -23.0928
            31  N2a N    29.0756  -21.0054
BOND        32
            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     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   10  14 1
            16    9  15 2
            17    8  16 1 #Down
            18   14  17 1 #Up
            19   17  18 2
            20   17  19 1
            21   20  19 1 #Up
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   21  24 2
            26   20  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   29  31 2

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