COMPOUND: C15096
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Entry
C15096 Compound
Name
GV 150013X;
N-Phenyl-N'-[(3R)-2,3,4,5-tetrahydro-2,4-dioxo-1-phenyl-5-(tricyclo[3.3.1.1(3,7)]dec-1-ylmethyl)-1H-1,5-benzodiazepin-3-yl]urea
Formula
C33H34N4O3
Exact mass
534.2631
Mol weight
534.6481
Structure
Mol file
KCF file
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Pathway
map07117
Benzodiazepine family
Other DBs
PubChem:
17396093
ChEBI:
79615
NIKKAJI:
J924.335F
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KCF data
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ATOM 40
1 C8y C 4.8875 -9.6384
2 C8y C 5.2394 -8.2876
3 N1y N 6.5156 -7.7107
4 C5x C 7.7524 -8.3455
5 N1y N 5.7388 -10.7611
6 C1y C 8.0393 -9.7184
7 C5x C 7.1389 -10.7923
8 C8y C 5.0946 -12.0224
9 C8x C 4.2426 -7.3045
10 C8x C 2.8929 -7.6762
11 C8x C 2.5409 -9.0271
12 C8x C 3.5377 -10.0101
13 O5x O 8.8845 -7.4827
14 O5x O 7.7122 -12.0577
15 C8x C 3.6946 -12.0224
16 C8x C 2.9946 -13.2348
17 C8x C 3.6946 -14.4472
18 C8x C 5.0946 -14.4472
19 C8x C 5.7946 -13.2348
20 N1b N 9.2624 -10.4300
21 C5a C 10.4749 -9.7300
22 N1b N 11.6873 -10.4300
23 C8y C 12.8997 -9.7300
24 O5a O 10.4749 -8.3302
25 C8x C 14.0973 -10.4215
26 C8x C 15.3098 -9.7216
27 C8x C 15.3099 -8.3216
28 C8x C 14.1124 -7.6301
29 C8x C 12.8999 -8.3300
30 C1b C 6.5507 -6.3006
31 C1z C 7.8028 -5.6183
32 C1x C 8.9655 -6.3285
33 C1y C 10.1949 -5.6587
34 C1x C 10.2295 -4.2591
35 C1y C 9.0668 -3.5490
36 C1x C 7.8375 -4.2188
37 C1x C 8.1652 -6.9706
38 C1y C 9.5175 -6.6083
39 C1x C 10.8698 -6.9706
40 C1x C 9.5175 -5.2083
BOND 46
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 2
7 6 7 1
8 5 8 1
9 2 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 1 12 1
14 4 13 2
15 7 14 2
16 8 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 8 19 1
22 6 20 1 #Up
23 20 21 1
24 21 22 1
25 22 23 1
26 21 24 2
27 23 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 23 29 1
33 3 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 31 36 1
41 31 37 1
42 37 38 1
43 38 39 1
44 33 39 1
45 38 40 1
46 35 40 1
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