KEGG   DRUG: Elamipretide
Entry
D10925                      Drug                                   

Name
Elamipretide (USAN/INN)
Formula
C32H49N9O5
Exact mass
639.3857
Mol weight
639.7888
Structure
Simcomp
Remark
Chemical structure group: DG03046
Efficacy
Mitochondrial protective
Comment
Oligopeptide
Mitochondrial protective agent to improve cell viability
Other DBs
CAS: 736992-21-5
PubChem: 342581782
ChEMBL: CHEMBL3833370
LinkDB
KCF data

ATOM        46
            1   N1a N    12.7597  -13.8600
            2   C1c C    13.9722  -13.1600
            3   C5a C    15.1846  -13.8600
            4   N1b N    16.3970  -13.1600
            5   C1c C    17.6095  -13.8600
            6   C5a C    18.8219  -13.1600
            7   N1b N    20.0344  -13.8600
            8   C1c C    21.2468  -13.1600
            9   C5a C    22.4592  -13.8600
            10  N1b N    23.6717  -13.1600
            11  C1c C    24.8841  -13.8600
            12  C5a C    26.0965  -13.1600
            13  N1a N    27.3090  -13.8600
            14  O5a O    26.0965  -11.7601
            15  C1b C    24.8841  -15.2596
            16  C8y C    26.0709  -15.9450
            17  C8x C    26.0711  -17.3597
            18  C8x C    27.2836  -18.0595
            19  C8x C    28.4959  -17.3594
            20  C8x C    28.4958  -15.9448
            21  C8x C    27.2833  -15.2449
            22  O5a O    22.4592  -15.2600
            23  C1b C    21.2468  -11.7604
            24  O5a O    18.8219  -11.7600
            25  C1b C    22.4870  -11.0507
            26  C1b C    22.4763   -9.6508
            27  C1b C    23.6833   -8.9415
            28  N1a N    23.6726   -7.5415
            29  C1b C    17.6095  -16.6597
            30  C8y C    18.8447  -17.3732
            31  C8y C    18.8443  -18.7599
            32  C8x C    20.0566  -19.4603
            33  C8y C    21.2692  -18.7606
            34  C8x C    21.2696  -17.3739
            35  C8y C    20.0574  -16.6735
            36  O1a O    22.4892  -19.4656
            37  C1a C    17.6209  -19.4658
            38  C1a C    20.0575  -15.2604
            39  O5a O    15.1846  -15.2600
            40  C1b C    13.9722  -11.7603
            41  C1b C    15.2093  -11.0546
            42  C1b C    15.2031   -9.6546
            43  N1b N    16.4124   -8.9492
            44  C2c C    16.4061   -7.5492
            45  N1a N    17.6155   -6.8439
            46  N2a N    15.1758   -6.8459
BOND        47
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 2
            14   11  15 1 #Down
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 2
            21   16  21 1
            22    9  22 2
            23    8  23 1 #Up
            24    6  24 2
            25   23  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29    5  29 1 #Down
            30   29  30 1
            31   30  31 2
            32   31  32 1
            33   32  33 2
            34   33  34 1
            35   34  35 2
            36   30  35 1
            37   33  36 1
            38   31  37 1
            39   35  38 1
            40    3  39 2
            41    2  40 1 #Down
            42   40  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   44  46 2

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