KEGG   COMPOUND: C00773
Entry
C00773                      Compound                               
Name
Pepstatin
Formula
C34H63N5O9
Exact mass
685.4626
Mol weight
685.8921
Structure
Remark
Same as: D03818
Other DBs
CAS: 26305-03-3
PubChem: 4035
ChEBI: 7989
NIKKAJI: J17.063A
KCF data

ATOM        48
            1   C1c C    27.0816  -18.7274
            2   N1b N    25.4530  -19.4521
            3   C1c C    28.2134  -19.4521
            4   C1b C    27.0816  -17.4084
            5   C5a C    24.2480  -18.7274
            6   C1b C    29.3615  -18.7274
            7   O1a O    28.2134  -20.7712
            8   C1c C    28.2134  -16.7488
            9   C1c C    23.1079  -19.4521
            10  O5a O    24.2480  -17.4084
            11  C5a C    30.5667  -19.4521
            12  C1a C    28.2134  -15.4215
            13  C1a C    29.3615  -17.4084
            14  N1b N    21.4875  -18.7274
            15  C1c C    23.1079  -20.9667
            16  N1b N    31.7065  -18.7274
            17  O5a O    30.5667  -20.7712
            18  C5a C    20.3477  -19.4521
            19  C1a C    21.9681  -21.6831
            20  C1a C    24.2480  -21.6179
            21  C1c C    33.2131  -19.4521
            22  C1c C    19.2159  -18.7274
            23  O5a O    20.3477  -20.7712
            24  C5a C    34.4181  -18.7274
            25  C1a C    33.2131  -20.7712
            26  N1b N    17.5873  -19.4521
            27  C1c C    19.2159  -17.0419
            28  N1b N    36.1605  -19.4521
            29  O5a O    34.4181  -17.4084
            30  C5a C    16.3740  -18.7274
            31  C1a C    20.3477  -16.3824
            32  C1a C    18.0107  -16.3824
            33  C1c C    37.3658  -18.7274
            34  C1b C    15.2342  -19.4521
            35  O5a O    16.3740  -17.4084
            36  C1c C    38.5139  -19.4521
            37  C1b C    37.3658  -17.4084
            38  C1c C    14.0779  -18.7274
            39  C1b C    39.6457  -18.7274
            40  O1a O    38.5139  -20.7712
            41  C1c C    38.5139  -16.7488
            42  C1a C    13.0112  -19.4521
            43  C1a C    14.0779  -17.4084
            44  C6a C    40.8589  -19.4521
            45  C1a C    38.5139  -15.4215
            46  C1a C    39.6457  -17.4084
            47  O6a O    41.9987  -18.7274
            48  O6a O    40.8589  -20.7712
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    8  12 1
            12    8  13 1
            13    9  14 1
            14    9  15 1 #Down
            15   11  16 1
            16   11  17 2
            17   14  18 1
            18   15  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 2
            23   21  24 1
            24   21  25 1 #Down
            25   22  26 1
            26   22  27 1 #Up
            27   24  28 1
            28   24  29 2
            29   26  30 1
            30   27  31 1
            31   27  32 1
            32   28  33 1
            33   30  34 1
            34   30  35 2
            35   33  36 1
            36   33  37 1
            37   34  38 1
            38   36  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   38  43 1
            43   39  44 1
            44   41  45 1
            45   41  46 1
            46   44  47 1
            47   44  48 2

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