KEGG   COMPOUND: C11296
Entry
C11296                      Compound                               
Name
N-Acetyl-leu-leu-leu-tyr-amide;
NAc-L3Y-amide
Formula
C29H47N5O6
Exact mass
561.3526
Mol weight
561.7134
Structure
Other DBs
PubChem: 13471
ChEBI: 7190
NIKKAJI: J2.773.646G
LinkDB
KCF data

ATOM        40
            1   N1b N    31.6605  -18.8481
            2   C1c C    32.8688  -19.5465
            3   C5a C    34.0777  -18.8496
            4   N1a N    35.2858  -19.5480
            5   O5a O    34.0784  -17.4541
            6   C1b C    32.8679  -20.9420
            7   C8y C    34.0760  -21.6406
            8   C8x C    35.2799  -20.9454
            9   C8x C    36.4880  -21.6438
            10  C8y C    36.4873  -23.0393
            11  C8x C    35.2784  -23.7364
            12  C8x C    34.0701  -23.0380
            13  O1a O    37.6954  -23.7378
            14  C5a C    30.4352  -19.5367
            15  O5a O    30.4282  -20.9391
            16  C1c C    29.2159  -18.8389
            17  C1b C    29.2141  -17.4363
            18  C1c C    30.4288  -16.7300
            19  C1a C    30.4271  -15.3273
            20  C1a C    31.6453  -17.4333
            21  N1b N    28.0092  -19.5397
            22  C5a C    26.7900  -18.8489
            23  O5a O    26.7830  -17.4465
            24  C1c C    25.5707  -19.5467
            25  N1b N    24.3560  -18.8474
            26  C1b C    25.5688  -20.9493
            27  C1c C    26.7835  -21.6557
            28  C1a C    26.7818  -23.0583
            29  C1a C    28.0001  -20.9523
            30  C5a C    23.1368  -19.5382
            31  O5a O    23.1998  -20.9407
            32  C1c C    21.9175  -18.8405
            33  N1b N    20.7028  -19.5397
            34  C1b C    21.9157  -17.4379
            35  C1c C    23.1303  -16.7315
            36  C1a C    23.1286  -15.3289
            37  C1a C    24.3469  -17.4348
            38  C5a C    19.4951  -18.8405
            39  C1a C    18.2858  -19.5367
            40  O5a O    19.4969  -17.4450
BOND        40
            1    14  15 2
            2     8   9 1
            3    16  21 1
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12   7 1
            8     1   2 1
            9    10  13 1
            10    6   7 1
            11    3   4 1
            12   24  25 1
            13   22  24 1
            14   21  22 1
            15   24  26 1
            16   26  27 1
            17   27  28 1
            18   27  29 1
            19   22  23 2
            20    3   5 2
            21    2   3 1
            22    2   6 1
            23    7   8 2
            24   14  16 1
            25    1  14 1
            26   16  17 1
            27   32  33 1
            28   30  32 1
            29   25  30 1
            30   32  34 1
            31   34  35 1
            32   35  36 1
            33   35  37 1
            34   30  31 2
            35   17  18 1
            36   33  38 1
            37   18  19 1
            38   38  39 1
            39   18  20 1
            40   38  40 2

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