COMPOUND: C11847
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Entry
C11847 Compound
Name
Cyclo(L-Phe-L-Pro);
(3S-trans)-3-Benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione
Formula
C14H16N2O2
Exact mass
244.1212
Mol weight
244.29
Structure
Mol file
KCF file
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Other DBs
CAS:
3705-26-8
PubChem:
14009
ChEBI:
69440
KNApSAcK:
C00038889
NIKKAJI:
J232.296J
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KCF data
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ATOM 18
1 C8y C 25.7939 -18.7706
2 C8x C 24.5131 -18.0736
3 C8x C 23.3039 -18.7738
4 C8x C 23.3058 -20.1710
5 C8x C 24.5168 -20.8680
6 C8x C 25.7258 -20.1678
7 C1x C 31.9020 -18.4009
8 C1x C 31.8892 -20.6740
9 C1x C 32.7241 -19.5360
10 C1y C 30.5636 -20.2187
11 N1y N 30.5803 -18.8235
12 C5x C 29.3754 -18.1048
13 C1y C 28.1575 -18.7878
14 N1x N 28.1314 -20.1862
15 C5x C 29.3364 -20.9118
16 O5x O 29.3195 -22.3154
17 O5x O 29.3921 -16.7010
18 C1b C 26.9350 -18.0807
BOND 20
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 10 11 1
7 11 12 1
8 12 13 1
9 13 14 1
10 14 15 1
11 15 10 1
12 7 11 1
13 10 8 1
14 15 16 2
15 8 9 1
16 12 17 2
17 9 7 1
18 6 1 1
19 13 18 1 #Up
20 18 1 1
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