KEGG   COMPOUND: C15661Help
Entry
C15661                      Compound                               

Name
A 80987
Formula
C37H43N5O6
Exact mass
653.3213
Mol weight
653.7672
Structure
Mol fileKCF fileDB search
Pathway
map07218  HIV protease inhibitors
Other DBs
CAS: 144141-97-9
PubChem: 17396650
ChEBI: 80009
ChEMBL: CHEMBL347484
NIKKAJI: J566.362H
LinkDB All DBs
KCF data Show

ATOM        48
            1   C1c C    14.9784  -16.5910
            2   C1b C    14.9856  -17.9921
            3   C1b C    16.1978  -15.8943
            4   N1b N    13.7662  -15.9015
            5   C8y C    15.9728  -18.9865
            6   C1c C    17.4098  -16.5839
            7   C7a C    12.5541  -16.5984
            8   C8x C    15.2616  -20.1912
            9   C8x C    17.3664  -18.9936
            10  C1c C    18.6148  -15.8872
            11  O1a O    17.4171  -17.9848
            12  O7a O    11.3421  -15.9088
            13  O6a O    12.5541  -17.9993
            14  C8x C    15.9583  -21.4033
            15  C8x C    18.0631  -20.2057
            16  C1b C    18.6148  -14.4790
            17  N1b N    19.8269  -16.5765
            18  C1b C    10.1227  -16.6056
            19  C8x C    17.3519  -21.4106
            20  C5a C    21.0461  -15.8798
            21  C8y C     8.9105  -15.9160
            22  C1c C    22.2584  -16.5694
            23  O5a O    21.0390  -14.4717
            24  N1b N    23.4705  -15.8727
            25  C7a C    24.6825  -16.5620
            26  C1c C    22.2614  -17.9963
            27  C1a C    23.4811  -18.6971
            28  C1a C    21.0555  -18.6958
            29  O7a O    25.8516  -15.8774
            30  C1b C    27.0674  -16.5695
            31  C8y C    28.2881  -15.8542
            32  O6a O    24.6924  -17.7856
            33  N5x N    29.4948  -16.5403
            34  C8x C    30.6329  -15.8321
            35  C8x C    30.6937  -14.4318
            36  C8x C    29.4870  -13.7456
            37  C8x C    28.2788  -14.4538
            38  C8y C    17.4185  -13.7886
            39  C8x C     8.9016  -14.4949
            40  N5x N     7.6845  -13.8023
            41  C8x C     6.4762  -14.5100
            42  C8x C     6.4850  -15.9312
            43  C8x C     7.7021  -16.6238
            44  C8x C    17.4184  -12.3900
            45  C8x C    16.2059  -11.6902
            46  C8x C    14.9935  -12.3903
            47  C8x C    14.9936  -13.7888
            48  C8x C    16.2061  -14.4887
BOND        51
            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   14  19 2
            19   17  20 1
            20   18  21 1
            21   20  22 1
            22   20  23 2
            23   22  24 1
            24   24  25 1
            25   15  19 1
            26   22  26 1 #Up
            27   26  27 1
            28   26  28 1
            29   25  29 1
            30   29  30 1
            31   30  31 1
            32   25  32 2
            33   31  33 2
            34   33  34 1
            35   34  35 2
            36   35  36 1
            37   36  37 2
            38   31  37 1
            39   16  38 1
            40   21  39 2
            41   39  40 1
            42   40  41 2
            43   41  42 1
            44   42  43 2
            45   21  43 1
            46   38  44 2
            47   44  45 1
            48   45  46 2
            49   46  47 1
            50   47  48 2
            51   38  48 1

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