KEGG   COMPOUND: C11329
Entry
C11329                      Compound                               
Name
N-Acetyl-ala-ala-ala-methylester;
NAc-AAA-ME
Formula
C12H21N3O5
Exact mass
287.1481
Mol weight
287.3122
Structure
Other DBs
CAS: 26910-17-8
PubChem: 13504
ChEBI: 7161
NIKKAJI: J45.825B
LinkDB
KCF data

ATOM        20
            1   O7a O    34.1091  -19.1960
            2   C7a C    32.8906  -19.8864
            3   O6a O    32.8836  -21.2881
            4   C1c C    31.6720  -19.1890
            5   C1a C    31.6701  -17.7872
            6   N1b N    30.4659  -19.8894
            7   C5a C    29.2473  -19.1990
            8   O5a O    29.2404  -17.7973
            9   C1c C    28.0287  -19.8964
            10  N1b N    26.8147  -19.1975
            11  C1a C    28.0268  -21.2982
            12  C5a C    25.5961  -19.8879
            13  O5a O    25.5891  -21.2896
            14  C1c C    24.3775  -19.1905
            15  N1b N    23.1634  -19.8894
            16  C1a C    24.3756  -17.7887
            17  C5a C    21.9563  -19.1905
            18  C1a C    20.7476  -19.8864
            19  O5a O    21.9580  -17.7958
            20  C1a C    35.3113  -19.9030
BOND        19
            1     9  11 1 #Down
            2     7   8 2
            3     4   6 1
            4     2   4 1
            5     1   2 1
            6     4   5 1 #Up
            7     2   3 2
            8    14  15 1
            9    12  14 1
            10   10  12 1
            11   14  16 1 #Up
            12   12  13 2
            13   15  17 1
            14    9  10 1
            15   17  18 1
            16    7   9 1
            17   17  19 2
            18    6   7 1
            19    1  20 1

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