15LYY_7BJ_A_501
2  RCSB PDB12061718553D
3Coordinates from PDB:5LYY:A:501 Model:1 without hydrogens
4 22 24  0  0  0  0            999 V2000
5   22.5580    9.0260   -4.5260   C 0  0  0  0  0  0  0  0  0  0  0  0
6   23.2160    7.9420   -5.0190   C 0  0  0  0  0  0  0  0  0  0  0  0
7   24.1190    7.5620   -2.8270   C 0  0  0  0  0  0  0  0  0  0  0  0
8   25.5680    5.7080   -2.3270   C 0  0  0  0  0  0  0  0  0  0  0  0
9   26.2250    5.0710   -1.1380   C 0  0  0  0  0  0  0  0  0  0  0  0
10   28.1890    3.5960   -1.7310   C 0  0  0  0  0  0  0  0  0  0  0  0
11   27.1460    1.4920   -1.7320   C 0  0  0  0  0  0  0  0  0  0  0  0
12   26.8160    0.7230   -3.0170   C 0  0  0  0  0  0  0  0  0  0  0  0
13   27.7060   -0.4930   -3.2200   C 0  0  0  0  0  0  0  0  0  0  0  0
14   27.6630   -1.4080   -2.0070   C 0  0  0  0  0  0  0  0  0  0  0  0
15   26.1290    2.6070   -1.5070   C 0  0  0  0  0  0  0  0  0  0  0  0
16   23.4360    8.6730   -2.3530   C 0  0  0  0  0  0  0  0  0  0  0  0
17   22.6470    9.4100   -3.2170   C 0  0  0  0  0  0  0  0  0  0  0  0
18   21.7800    9.7560   -5.3720   F 0  0  0  0  0  0  0  0  0  0  0  0
19   24.0060    7.1980   -4.1680   C 0  0  0  0  0  0  0  0  0  0  0  0
20   24.8770    6.8900   -1.8990   O 0  0  0  0  0  0  0  0  0  0  0  0
21   26.8260    3.7840   -1.4620   N 0  0  0  0  0  0  0  0  0  0  0  0
22   29.0180    4.4820   -1.8270   O 0  0  0  0  0  0  0  0  0  0  0  0
23   28.3730    2.2740   -1.8540   N 0  0  0  0  0  0  0  0  0  0  0  0
24   28.0650   -0.6600   -0.7460   C 0  0  0  0  0  0  0  0  0  0  0  0
25   27.1740    0.5500   -0.5250   C 0  0  0  0  0  0  0  0  0  0  0  0
26   24.9340    2.4850   -1.3890   O 0  0  0  0  0  0  0  0  0  0  0  0
27 14  1  1  0  0  0  0
28  2  1  2  0  0  0  0
29  2 15  1  0  0  0  0
30  1 13  1  0  0  0  0
31 15  3  2  0  0  0  0
32  9  8  1  0  0  0  0
33  9 10  1  0  0  0  0
34 13 12  2  0  0  0  0
35  8  7  1  0  0  0  0
36  3 12  1  0  0  0  0
37  3 16  1  0  0  0  0
38  4 16  1  0  0  0  0
39  4  5  1  0  0  0  0
40 10 20  1  0  0  0  0
41 19  7  1  0  0  0  0
42 19  6  1  0  0  0  0
43 18  6  2  0  0  0  0
44  7 11  1  0  0  0  0
45  7 21  1  0  0  0  0
46  6 17  1  0  0  0  0
47 11 17  1  0  0  0  0
48 11 22  2  0  0  0  0
49 17  5  1  0  0  0  0
50 20 21  1  0  0  0  0
51A    1
52C2
53A    2
54C3
55A    3
56C5
57A    4
58C7
59A    5
60C8
61A    6
62C10
63A    7
64C13
65A    8
66C14
67A    9
68C15
69A   10
70C16
71A   11
72C19
73A   12
74C21
75A   13
76C22
77A   14
78F1
79A   15
80C4
81A   16
82O6
83A   17
84N9
85A   18
86O11
87A   19
88N12
89A   20
90C17
91A   21
92C18
93A   22
94O20
95M  END
96>  <InstanceId>
975LYY_7BJ_A_501
98
99>  <ChemCompId>
1007BJ
101
102>  <PdbId>
1035LYY
104
105>  <ChainId>
106A
107
108>  <ResidueNumber>
109501
110
111>  <InsertionCode>
112
113
114>  <Model>
1151
116
117>  <AltIds>
118
119
120>  <MissingHeavyAtoms>
1210
122
123>  <ObservedFormula>
124C16 N2 O3 F
125
126>  <Name>
1273-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
128
129>  <SystematicName>
1303-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
131
132>  <Synonyms>
133
134
135>  <Type>
136NON-POLYMER
137
138>  <Formula>
139C16 H19 F N2 O3
140
141>  <MolecularWeight>
142306.332
143
144>  <ModifiedDate>
1452016-12-16
146
147>  <Parent>
148
149
150>  <OneLetterCode>
151
152
153>  <SubcomponentList>
154
155
156>  <AmbiguousFlag>
157N
158
159>  <InChI>
160InChI=1S/C16H19FN2O3/c17-12-4-6-13(7-5-12)22-11-10-19-14(20)16(18-15(19)21)8-2-1-3-9-16/h4-7H,1-3,8-11H2,(H,18,21)
161
162>  <InChIKey>
163WWRSQXLLQVERHE-UHFFFAOYSA-N
164
165>  <SMILES>
166c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F
167
168$$$$
169