KEGG   COMPOUND: C15659
Entry
C15659                      Compound                               

Name
TMC 126;
UIC 94003
Formula
C28H38N2O8S
Exact mass
562.2349
Mol weight
562.6749
Structure
Pathway
map07218  HIV protease inhibitors
Other DBs
CAS: 206362-00-7
PubChem: 17396648
ChEMBL: CHEMBL302859 CHEMBL469086
PDB-CCD: DJR[PDBj]
NIKKAJI: J1.518.203B
LinkDB
KCF data

ATOM        39
            1   C1y C    28.6536  -19.1581
            2   N1c N    20.1935  -19.7873
            3   C1b C    21.3821  -19.0881
            4   S4a S    19.0049  -19.0881
            5   C1c C    22.6406  -19.7873
            6   C8y C    17.7464  -19.7873
            7   C1c C    23.8292  -19.0881
            8   C1b C    23.8292  -17.6898
            9   N1b N    25.0178  -19.7873
            10  C8y C    22.6406  -16.9906
            11  C7a C    26.2064  -19.0881
            12  C8x C    21.3821  -17.6898
            13  C8x C    22.6406  -15.5922
            14  O7a O    27.4650  -19.7873
            15  O6a O    26.2064  -17.6898
            16  C8x C    20.1935  -16.9906
            17  C8x C    21.3821  -14.8931
            18  C8x C    20.1935  -15.5922
            19  C8x C    17.7464  -21.1857
            20  C8x C    16.5578  -21.8849
            21  C8y C    15.3692  -21.1857
            22  C8x C    15.3692  -19.7873
            23  C8x C    16.5578  -19.0881
            24  C1b C    20.1935  -21.1857
            25  C1c C    19.0049  -21.9548
            26  C1a C    19.0049  -23.3531
            27  C1a C    17.8163  -22.5840
            28  O1a O    22.5707  -21.1857
            29  O3c O    19.9838  -18.1093
            30  O3c O    18.0261  -18.1093
            31  C1y C    29.9121  -19.7873
            32  C1y C    30.8909  -18.8085
            33  O2x O    30.2617  -17.5499
            34  C1x C    28.8633  -17.7597
            35  C1x C    30.6113  -21.0458
            36  C1x C    32.0096  -20.7662
            37  O2x O    32.1495  -19.4377
            38  O2a O    14.1107  -21.8849
            39  C1a C    12.9425  -21.1847
BOND        42
            1     2   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     5   7 1
            6     7   8 1 #Down
            7     7   9 1
            8     8  10 1
            9     9  11 1
            10   10  12 2
            11   10  13 1
            12   11  14 1
            13   11  15 2
            14   12  16 1
            15   13  17 2
            16   16  18 2
            17   17  18 1
            18    6  19 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23    6  23 1
            24    2  24 1
            25   24  25 1
            26   25  26 1
            27   25  27 1
            28    5  28 1 #Down
            29    4  29 2
            30    4  30 2
            31    1  14 1 #Up
            32    1  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36    1  34 1
            37   31  35 1
            38   35  36 1
            39   36  37 1
            40   32  37 1
            41   21  38 1
            42   38  39 1

» Japanese version

DBGET integrated database retrieval system