KEGG   COMPOUND: C11330
Entry
C11330                      Compound                               
Name
N-Acetyl-leu-leu-tyr;
NAc-LLY
Formula
C23H35N3O6
Exact mass
449.2526
Mol weight
449.5405
Structure
Other DBs
PubChem: 13505
ChEBI: 7191
NIKKAJI: J906.819H
LinkDB
KCF data

ATOM        32
            1   N1b N    29.9003  -20.2024
            2   C1c C    31.1092  -19.5036
            3   C6a C    32.3187  -20.2010
            4   O6a O    33.5274  -19.5022
            5   O6a O    32.3194  -21.5972
            6   C1b C    31.1084  -18.1074
            7   C8y C    32.3170  -17.4086
            8   C8x C    34.7302  -17.4052
            9   C8y C    34.7295  -16.0090
            10  C8x C    33.5200  -15.3116
            11  C8x C    32.3111  -16.0103
            12  O1a O    35.9382  -15.3102
            13  C5a C    28.6800  -19.5136
            14  O5a O    28.6730  -18.1104
            15  C1c C    27.4601  -20.2117
            16  N1b N    26.2448  -19.5120
            17  C1b C    27.4582  -21.6150
            18  C1c C    28.6735  -22.3217
            19  C1a C    28.6718  -23.7250
            20  C1a C    29.8907  -21.6180
            21  C5a C    25.0250  -20.2032
            22  O5a O    25.0180  -21.6063
            23  C1c C    23.8051  -19.5051
            24  N1b N    22.5898  -20.2047
            25  C1b C    23.8032  -18.1018
            26  C1c C    25.0185  -17.3950
            27  C1a C    25.0168  -15.9917
            28  C1a C    26.2357  -18.0987
            29  C5a C    21.3816  -19.5051
            30  C1a C    20.1716  -20.2017
            31  O5a O    21.3833  -18.1089
            32  C8x C    33.5266  -18.1060
BOND        32
            1     7  32 2
            2    32   8 1
            3    15  16 1
            4    13  15 1
            5     1  13 1
            6    15  17 1
            7    17  18 1
            8    18  19 1
            9    18  20 1
            10   13  14 2
            11    8   9 2
            12    9  10 1
            13   10  11 2
            14   11   7 1
            15    2   6 1
            16    9  12 1
            17    1   2 1
            18    6   7 1
            19   23  24 1
            20   21  23 1
            21   16  21 1
            22   23  25 1
            23   25  26 1
            24   26  27 1
            25   26  28 1
            26   21  22 2
            27    3   4 1
            28   24  29 1
            29   29  30 1
            30    3   5 2
            31   29  31 2
            32    2   3 1

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