KEGG   COMPOUND: C07465
Entry
C07465                      Compound                               
Name
Remikiren;
Ro 42-5892
Formula
C33H50N4O6S
Exact mass
630.3451
Mol weight
630.8383
Structure
Remark
Same as: D09038
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
   C09X OTHER AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
    C09XA Renin-inhibitors
     C09XA01 Remikiren
      D09038  Remikiren (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01925  Renin-angiotensin system inhibitor
   DG01923  Renin inhibitor
    D09038  Remikiren
  DG03231  Antihypertensive
   DG01923  Renin inhibitor
    D09038  Remikiren
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Aspartic peptidases
    REN
     D09038  Remikiren (INN)
Other DBs
CAS: 126222-34-2
PubChem: 9668
ChEBI: 8803
PDB-CCD: REM[PDBj]
NIKKAJI: J419.436E
KCF data

ATOM        44
            1   C1c C    22.2173  -16.4751
            2   N1b N    21.0023  -17.1645
            3   C1b C    22.2232  -14.5590
            4   C1c C    23.4208  -17.1704
            5   C5a C    19.7870  -16.4694
            6   C1y C    23.1519  -13.7120
            7   C1c C    24.6358  -16.4751
            8   O1a O    23.4031  -18.3562
            9   C1c C    18.5720  -17.1645
            10  O5a O    19.7870  -15.0614
            11  C1x C    24.3612  -14.4188
            12  C1x C    23.1579  -12.3216
            13  C1y C    25.8508  -17.1704
            14  O1a O    24.6709  -15.2951
            15  C1b C    18.5544  -18.5257
            16  N1b N    17.3511  -16.4694
            17  C1x C    25.5763  -13.7295
            18  C1x C    24.3671  -11.6266
            19  C1x C    27.2529  -17.1762
            20  C1x C    26.5519  -18.3913
            21  C8y C    19.6124  -19.3444
            22  C5a C    16.1360  -17.1645
            23  C1x C    25.5763  -12.3274
            24  N4x N    20.0472  -20.6963
            25  C8x C    20.7612  -18.5294
            26  C1c C    14.9151  -16.4694
            27  O5a O    16.1360  -18.5724
            28  C8x C    21.4590  -20.6969
            29  N5x N    21.8941  -19.3570
            30  C1b C    14.8626  -15.0440
            31  C1b C    13.6999  -17.1645
            32  C8y C    16.1418  -14.3430
            33  S4a S    12.4849  -16.4811
            34  C8x C    17.3628  -15.0380
            35  C8x C    16.1418  -12.9468
            36  C1d C    11.2639  -17.1879
            37  O3c O    12.5431  -15.0790
            38  O3c O    12.5431  -17.8831
            39  C8x C    18.5661  -14.3430
            40  C8x C    17.3568  -12.2515
            41  C1a C    10.0489  -16.4811
            42  C1a C    11.2582  -18.5899
            43  C1a C    11.2523  -15.7741
            44  C8x C    18.5720  -12.9525
BOND        47
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Up
            14    9  15 1 #Down
            15    9  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 1
            19   13  20 1
            20   15  21 1
            21   16  22 1
            22   17  23 1
            23   21  24 1
            24   21  25 2
            25   22  26 1
            26   22  27 2
            27   24  28 1
            28   25  29 1
            29   26  30 1 #Up
            30   26  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 2
            34   32  35 1
            35   33  36 1
            36   33  37 2
            37   33  38 2
            38   34  39 1
            39   35  40 2
            40   36  41 1
            41   36  42 1
            42   36  43 1
            43   39  44 2
            44   18  23 1
            45   19  20 1
            46   28  29 2
            47   40  44 1

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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