KEGG   COMPOUND: C15660
Entry
C15660                      Compound                               

Name
A 77003
Formula
C44H58N8O6
Exact mass
794.4479
Mol weight
794.9813
Structure
Pathway
map07218  HIV protease inhibitors
Other DBs
CAS: 134878-17-4
PubChem: 17396649
ChEMBL: CHEMBL73050
PDB-CCD: A77[PDBj]
NIKKAJI: J438.982D
LinkDB
KCF data

ATOM        58
            1   C1c C    26.2425  -19.9456
            2   C1b C    26.2497  -21.3463
            3   C1c C    27.4615  -19.2491
            4   N1b N    25.0306  -19.2563
            5   C8y C    27.2366  -22.3404
            6   C1c C    28.6732  -19.9385
            7   C5a C    23.8188  -19.9530
            8   C8x C    26.5256  -23.5448
            9   C8x C    28.6298  -22.3475
            10  C1c C    29.8778  -19.2420
            11  O1a O    28.6805  -21.3390
            12  C1c C    22.6072  -19.2636
            13  O5a O    23.8188  -21.3535
            14  C8x C    27.2221  -24.7565
            15  C8x C    29.3263  -23.5593
            16  C1b C    29.8778  -17.8342
            17  N1b N    31.0896  -19.9311
            18  N1b N    21.3881  -19.9602
            19  C1c C    22.5998  -17.8559
            20  C8x C    28.6153  -24.7638
            21  C5a C    32.3085  -19.2346
            22  C5a C    20.1762  -19.2708
            23  C1a C    23.8188  -17.1520
            24  C1a C    21.3807  -17.1520
            25  C1c C    33.5204  -19.9240
            26  O5a O    32.3714  -17.8269
            27  N1c N    18.9718  -19.9675
            28  O5a O    20.1762  -17.8633
            29  N1b N    34.7322  -19.2275
            30  C1b C    17.7599  -19.2782
            31  C1a C    18.9718  -21.3680
            32  C5a C    35.9439  -19.9166
            33  C8y C    16.5408  -19.9747
            34  C1c C    33.5234  -21.3505
            35  C1a C    34.7428  -22.0511
            36  C1a C    32.3179  -22.0498
            37  N1c N    37.1126  -19.2322
            38  C1b C    38.3281  -19.9241
            39  C8y C    39.5485  -19.2090
            40  O5a O    35.8838  -21.3498
            41  C1a C    37.1039  -17.8504
            42  N5x N    40.7548  -19.8949
            43  C8x C    41.9626  -19.1869
            44  C8x C    41.9534  -17.7870
            45  C8x C    40.7470  -17.1010
            46  C8x C    39.5392  -17.8090
            47  C8y C    28.6819  -17.1439
            48  C8x C    29.8944  -16.4439
            49  C8x C    29.8944  -15.0438
            50  C8x C    28.6819  -14.3438
            51  C8x C    27.4695  -15.0438
            52  C8x C    27.4695  -16.4439
            53  O1a O    27.4602  -17.8505
            54  N5x N    15.3056  -19.2544
            55  C8x C    14.0901  -19.9491
            56  C8x C    14.0841  -21.3492
            57  C8x C    15.3193  -22.0695
            58  C8x C    16.5348  -21.3748
BOND        61
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1 #Up
            11    7  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 2
            15   10  16 1 #Down
            16   10  17 1
            17   12  18 1
            18   12  19 1 #Up
            19   14  20 2
            20   17  21 1
            21   18  22 1
            22   19  23 1
            23   19  24 1
            24   21  25 1
            25   21  26 2
            26   22  27 1
            27   22  28 2
            28   25  29 1
            29   27  30 1
            30   27  31 1
            31   29  32 1
            32   30  33 1
            33   15  20 1
            34   25  34 1 #Up
            35   34  35 1
            36   34  36 1
            37   32  37 1
            38   37  38 1
            39   38  39 1
            40   32  40 2
            41   37  41 1
            42   39  42 2
            43   42  43 1
            44   43  44 2
            45   44  45 1
            46   45  46 2
            47   39  46 1
            48   16  47 1
            49   47  48 1
            50   48  49 2
            51   49  50 1
            52   50  51 2
            53   51  52 1
            54   47  52 2
            55    3  53 1 #Down
            56   33  54 1
            57   54  55 2
            58   55  56 1
            59   56  57 2
            60   57  58 1
            61   33  58 2

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