KEGG   COMPOUND: C08086Help
Entry
C08086                      Compound                               

Name
Amprenavir
Formula
C25H35N3O6S
Exact mass
505.2247
Mol weight
505.6269
Structure
Mol fileKCF fileDB search
Remark
Same as: D00894
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
     J05AE05 Amprenavir
      D00894  Amprenavir (JAN/USAN/INN)
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D00894
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D00894
Prodrugs [br08324.html]
 D00894
BRITE hierarchy
Other DBs
CAS: 161814-49-9
PubChem: 10286
ChEBI: 40050
ChEMBL: CHEMBL116
PDB-CCD: 478[PDBj]
NIKKAJI: J674.601B
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    27.6225  -14.3481
            2   C8x C    27.6225  -15.7209
            3   C8x C    28.8113  -16.4072
            4   C8y C    30.0002  -15.7209
            5   C8x C    30.0002  -14.3481
            6   C8x C    28.8113  -13.6618
            7   S4a S    26.4337  -13.6618
            8   N1a N    31.2073  -16.4180
            9   N1c N    25.2615  -14.3387
            10  C1b C    24.0973  -13.6666
            11  C1c C    22.9293  -14.3412
            12  C1c C    21.7630  -13.6679
            13  N1b N    20.5961  -14.3418
            14  O3c O    27.4044  -12.6912
            15  O3c O    25.4630  -12.6912
            16  C1b C    25.2614  -16.8874
            17  O1a O    22.9293  -15.7206
            18  C7a C    19.4292  -13.6682
            19  O7a O    18.2625  -14.3420
            20  O6a O    19.4290  -12.2893
            21  C1y C    17.0955  -13.6682
            22  C1x C    17.5315  -12.3518
            23  O2x O    16.4250  -11.5335
            24  C1x C    15.3047  -12.3329
            25  C1x C    15.7189  -13.6453
            26  C1b C    21.7628  -12.2893
            27  C8y C    22.9708  -11.5915
            28  C8x C    24.1528  -12.2738
            29  C8x C    25.3415  -11.5872
            30  C8x C    25.3413  -10.2145
            31  C8x C    24.1592   -9.5322
            32  C8x C    22.9705  -10.2188
            33  C1c C    24.0933  -17.5621
            34  C1a C    22.9313  -16.8913
            35  C1a C    24.0932  -18.9464
BOND        37
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     4   8 1
            9     7   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    7  14 2
            15    7  15 2
            16    9  16 1
            17   11  17 1 #Up
            18   13  18 1
            19   18  19 1
            20   18  20 2
            21   21  19 1 #Up
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   21  25 1
            27   12  26 1 #Up
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   27  32 1
            35   16  33 1
            36   33  34 1
            37   33  35 1

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