COMPOUND: C20514
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Entry
C20514 Compound
Name
Cyclo(L-leucyl-L-leucyl);
(3S,6S)-3,6-Diisobutylpiperazine-2,5-dione
Formula
C12H22N2O2
Exact mass
226.1681
Mol weight
226.32
Structure
Mol file
KCF file
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Reaction
R10322
R10336
Enzyme
1.14.15.13
2.3.2.22
Other DBs
PubChem:
172232263
PDB-CCD:
2IO
[
PDBj
]
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KCF data
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ATOM 16
1 C1y C 20.2673 -14.2734
2 N1x N 20.2673 -15.6817
3 C5x C 21.4870 -16.3859
4 C1y C 22.7067 -15.6817
5 N1x N 22.7067 -14.2734
6 C5x C 21.4870 -13.5692
7 O5x O 21.4870 -12.1609
8 O5x O 21.4870 -17.7943
9 C1b C 19.0824 -13.5890
10 C1b C 23.8982 -16.3699
11 C1c C 17.8945 -14.2747
12 C1c C 25.0851 -15.6847
13 C1a C 16.7037 -13.5868
14 C1a C 17.8942 -15.6798
15 C1a C 26.2766 -16.3728
16 C1a C 25.0854 -14.2802
BOND 16
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 2
8 3 8 2
9 1 9 1 #Up
10 4 10 1 #Up
11 9 11 1
12 10 12 1
13 11 13 1
14 11 14 1
15 12 15 1
16 12 16 1
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