KEGG   COMPOUND: C07257Help
Entry
C07257                      Compound                               

Name
Nelfinavir
Formula
C32H45N3O4S
Exact mass
567.3131
Mol weight
567.7824
Structure
Mol fileKCF fileDB search
Remark
Same as: D08259
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AE Protease inhibitors
     J05AE04 Nelfinavir
      D08259  Nelfinavir (INN)
BRITE hierarchy
Other DBs
CAS: 159989-64-7
PubChem: 9466
ChEBI: 7496
ChEMBL: CHEMBL584
PDB-CCD: 1UN[PDBj]
NIKKAJI: J709.859F
KCF data Show

ATOM        40
            1   O1a O    15.3410  -21.1623
            2   C8y C    16.5546  -21.8631
            3   C8y C    17.7683  -21.1623
            4   C8y C    18.9819  -21.8631
            5   C5a C    20.1956  -21.1623
            6   N1b N    21.4093  -21.8631
            7   C1c C    22.6229  -21.1623
            8   C1c C    23.8365  -21.8631
            9   C1b C    25.0502  -21.1623
            10  N1y N    26.2638  -21.8631
            11  C1y C    27.4776  -21.1623
            12  C1x C    28.6912  -21.8631
            13  C8x C    16.5546  -23.2645
            14  C8x C    17.7683  -23.9651
            15  C8x C    18.9819  -23.2645
            16  O5a O    20.1956  -19.7610
            17  C1b C    22.6229  -19.7609
            18  S2a S    23.8406  -19.0579
            19  C8y C    23.8406  -17.6590
            20  C8x C    25.0384  -16.9674
            21  C8x C    25.0383  -15.5659
            22  C8x C    23.8246  -14.8653
            23  C8x C    22.6268  -15.5570
            24  C8x C    22.6269  -16.9585
            25  O1a O    23.8365  -23.2644
            26  C5a C    27.4776  -19.7610
            27  O5a O    26.2531  -19.0540
            28  N1b N    28.6804  -19.0665
            29  C1d C    29.8718  -19.7544
            30  C1a C    31.0854  -20.4551
            31  C1a C    30.5724  -18.5408
            32  C1a C    29.1710  -20.9681
            33  C1x C    26.2638  -23.2645
            34  C1y C    27.4776  -23.9651
            35  C1y C    28.6912  -23.2645
            36  C1x C    27.4776  -25.3665
            37  C1x C    28.6912  -26.0672
            38  C1x C    29.9048  -25.3665
            39  C1x C    29.9048  -23.9651
            40  C1a C    17.7683  -19.7611
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    2  13 2
            13   13  14 1
            14   14  15 2
            15   15   4 1
            16    5  16 2
            17    7  17 1 #Up
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26    8  25 1 #Up
            27   11  26 1 #Down
            28   26  27 2
            29   26  28 1
            30   28  29 1
            31   29  30 1
            32   29  31 1
            33   29  32 1
            34   10  33 1
            35   33  34 1
            36   34  35 1
            37   12  35 1
            38   34  36 1
            39   36  37 1
            40   37  38 1
            41   38  39 1
            42   35  39 1
            43    3  40 1

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