KEGG   COMPOUND: C07612Help
Entry
C07612                      Compound                               

Name
Leuprolide;
Leuprorelin
Formula
C59H84N16O12
Exact mass
1208.6455
Mol weight
1209.3983
Structure
Mol fileKCF fileDB search
Remark
Same as: D08113
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L02 ENDOCRINE THERAPY
   L02A HORMONES AND RELATED AGENTS
    L02AE Gonadotropin releasing hormone analogues
     L02AE02 Leuprorelin
      D08113  Leuprorelin (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D08113  Leuprorelin (INN)
BRITE hierarchy
Other DBs
CAS: 53714-56-0
PubChem: 9814
ChEBI: 6427
NIKKAJI: J34.477J
LinkDB All DBs
KCF data Show

ATOM        87
            1   C8y C    19.3090  -17.1455
            2   C8y C    19.7209  -15.8141
            3   C1b C    18.1117  -17.8544
            4   C8x C    20.4490  -17.9502
            5   C8y C    21.1099  -15.7949
            6   C8x C    19.0120  -14.6168
            7   C1c C    18.1309  -19.6125
            8   N4x N    21.5601  -17.1072
            9   C8x C    21.7899  -14.5879
            10  C8x C    19.6923  -13.4004
            11  N1b N    16.9336  -20.3117
            12  C5a C    19.3473  -20.2734
            13  C8x C    21.0907  -13.3907
            14  C5a C    15.7169  -19.6317
            15  N1b N    20.5446  -19.5647
            16  O5a O    19.2870  -21.6623
            17  C1c C    14.5197  -20.3309
            18  O5a O    15.7583  -18.2333
            19  C1c C    21.7515  -20.2350
            20  C1b C    14.4688  -22.2895
            21  N1b N    13.3032  -19.6606
            22  C5a C    22.9585  -19.5358
            23  C1b C    21.7707  -21.6431
            24  C8y C    15.7553  -22.9887
            25  C5a C    12.1057  -20.3692
            26  N1b N    24.1847  -20.2256
            27  O5a O    22.9394  -18.1277
            28  O1a O    22.9874  -22.3234
            29  C1y C    10.8893  -19.6892
            30  O5a O    12.1249  -21.7678
            31  C1c C    25.3819  -19.5072
            32  C1x C     9.6248  -20.2639
            33  N1x N    10.7265  -18.3002
            34  C1b C    25.3916  -18.1183
            35  C5a C    26.6081  -20.1970
            36  C1x C     8.6765  -19.2486
            37  C5x C     9.3854  -18.0319
            38  C8y C    26.5189  -17.3902
            39  N1b N    27.8245  -19.4975
            40  O5a O    26.6272  -21.6145
            41  O5x O     8.7820  -16.7677
            42  C8x C    27.8245  -18.0800
            43  C8x C    26.5506  -15.9918
            44  C1c C    29.0604  -20.1970
            45  C8x C    28.9615  -17.3616
            46  C8x C    27.7673  -15.2829
            47  C5a C    30.2768  -19.4783
            48  C1b C    29.0698  -22.5659
            49  C8y C    29.0029  -15.9630
            50  N1b N    31.5029  -20.1778
            51  O5a O    30.3276  -18.0800
            52  O1a O    30.2001  -15.2446
            53  C1c C    32.6907  -19.4592
            54  C5a C    33.8974  -20.1489
            55  C1b C    32.6716  -17.6502
            56  N1b N    35.1236  -19.4497
            57  O5a O    33.8563  -21.5667
            58  C1c C    33.8688  -16.9416
            59  C1c C    36.3497  -20.1489
            60  C1a C    33.8688  -15.5430
            61  C1a C    35.0950  -17.6408
            62  C5a C    37.5662  -19.4208
            63  C1b C    36.3497  -21.5476
            64  N1y N    38.7923  -20.1011
            65  O5a O    37.5662  -18.0127
            66  C1b C    35.1428  -22.2370
            67  C1y C    40.1812  -20.1011
            68  C1x C    38.3612  -21.4325
            69  C1b C    35.1428  -23.6357
            70  C1x C    40.6124  -21.4325
            71  C5a C    41.5032  -19.3828
            72  C1x C    39.4820  -22.2467
            73  N1b N    33.9358  -24.3349
            74  N1b N    42.7771  -20.1681
            75  O5a O    41.5318  -17.8788
            76  C2c C    32.7385  -23.6357
            77  C1b C    42.7580  -21.6623
            78  N1a N    32.7291  -22.2467
            79  N2a N    31.5413  -24.3446
            80  C1a C    43.9509  -22.3820
            81  C8x C    15.9336  -24.3479
            82  N5x N    17.2814  -24.5983
            83  C8x C    17.9361  -23.3939
            84  N4x N    16.9929  -22.3991
            85  C1c C    27.8595  -23.2768
            86  C1a C    26.6566  -22.5946
            87  C1a C    27.8704  -24.7100
BOND        92
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    7  11 1
            11    7  12 1
            12    9  13 2
            13   11  14 1
            14   12  15 1
            15   12  16 2
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   17  20 1
            20   17  21 1
            21   19  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   22  26 1
            26   22  27 2
            27   23  28 1
            28   25  29 1
            29   25  30 2
            30   26  31 1
            31   29  32 1
            32   29  33 1
            33   31  34 1
            34   31  35 1
            35   32  36 1
            36   33  37 1
            37   34  38 1
            38   35  39 1
            39   35  40 2
            40   37  41 2
            41   38  42 2
            42   38  43 1
            43   39  44 1
            44   42  45 1
            45   43  46 2
            46   44  47 1
            47   44  48 1
            48   45  49 2
            49   47  50 1
            50   47  51 2
            51   49  52 1
            52   50  53 1
            53   53  54 1
            54   53  55 1
            55   54  56 1
            56   54  57 2
            57   55  58 1
            58   56  59 1
            59   58  60 1
            60   58  61 1
            61   59  62 1
            62   59  63 1
            63   62  64 1
            64   62  65 2
            65   63  66 1
            66   64  67 1
            67   64  68 1
            68   66  69 1
            69   67  70 1
            70   67  71 1
            71   68  72 1
            72   69  73 1
            73   71  74 1
            74   71  75 2
            75   73  76 1
            76   74  77 1
            77   76  78 1
            78   76  79 2
            79    5   8 1
            80   10  13 1
            81   36  37 1
            82   46  49 1
            83   70  72 1
            84   77  80 1
            85   24  81 2
            86   81  82 1
            87   82  83 2
            88   83  84 1
            89   24  84 1
            90   48  85 1
            91   85  86 1
            92   85  87 1

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