KEGG   COMPOUND: C03326
Entry
C03326                      Compound                               
Name
(Ac)2-L-Lys-D-Ala-D-Ala;
(Ac)2-L-lysyl-D-alanyl-D-alanine
Formula
C16H28N4O6
Exact mass
372.2009
Mol weight
372.4167
Structure
Other DBs
PubChem: 6174
ChEBI: 270
NIKKAJI: J523.160D
LinkDB
KCF data

ATOM        26
            1   C1a C    11.9000  -16.1700
            2   C5a C    13.0900  -16.8700
            3   N1b N    14.3500  -16.1700
            4   C1b C    15.5400  -16.8700
            5   C1b C    16.7300  -16.1700
            6   C1b C    17.9900  -16.8700
            7   C1b C    19.1800  -16.1700
            8   C1c C    20.3700  -16.8700
            9   C5a C    21.6300  -16.1700
            10  N1b N    22.8200  -16.8700
            11  O5a O    13.0900  -18.2700
            12  N1b N    20.3528  -18.2699
            13  C5a C    19.1576  -18.9700
            14  C1a C    17.9451  -18.2700
            15  O5a O    19.1620  -20.3699
            16  O5a O    21.6472  -14.7701
            17  C1c C    24.0381  -16.1799
            18  C5a C    25.2195  -16.8750
            19  N1b N    26.4249  -16.1920
            20  O5a O    25.2081  -18.2700
            21  C1a C    24.0498  -14.7706
            22  C1c C    27.5961  -16.8809
            23  C6a C    28.8065  -16.1949
            24  O6a O    30.0266  -16.9129
            25  O6a O    28.8175  -14.7702
            26  C1a C    27.5848  -18.2700
BOND        25
            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    2  11 2
            11    8  12 1 #Up
            12   12  13 1
            13   13  14 1
            14   13  15 2
            15    9  16 2
            16   10  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 2
            20   17  21 1 #Down
            21   19  22 1
            22   22  23 1
            23   23  24 1
            24   23  25 2
            25   22  26 1 #Up

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