| Entry |
|
|---|
| Name |
Depreotide (USAN/INN) |
|---|
| Formula |
C65H96N16O12S2
|
|---|
| Exact mass |
1356.6835
|
|---|
| Mol weight |
1357.6877
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Hormonal agent
DG01588 Somatostatin receptor agonist
|
|---|
| Efficacy |
Diagnostic aid (contrast medium) |
|---|
| Comment |
nuclear medicine imaging agent used in the detection and localization of somatostatin receptor expressing tumors
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Hormonal agent
DG01588 Somatostatin receptor agonist
D03687 Depreotide
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 95
1 C1y C 9.5900 -14.3500
2 C5x C 9.5900 -15.7500
3 O5x O 10.8024 -16.4500
4 O5x O 12.0149 -15.7500
5 C5x C 12.0149 -14.3500
6 N1y N 10.8024 -13.6500
7 O5x O 13.2273 -16.4500
8 C5x C 14.4397 -15.7500
9 N1x N 14.4397 -14.3500
10 C1y C 13.2273 -13.6500
11 N1x N 8.3776 -16.4500
12 C1y C 8.3776 -17.8500
13 C5x C 9.5900 -18.5500
14 O5x O 10.8024 -17.8500
15 N1x N 9.5900 -19.9500
16 C1y C 10.8024 -20.6500
17 C5x C 12.0149 -19.9500
18 O5x O 12.0149 -18.5500
19 N1x N 13.2273 -20.6500
20 C1y C 14.4397 -19.9500
21 C5x C 14.4397 -18.5500
22 O5x O 13.2273 -17.8500
23 N1x N 15.6522 -17.8500
24 C1y C 15.6522 -16.4500
25 C1b C 10.8024 -22.0498
26 C1b C 7.3976 -13.3000
27 C8x C 4.7824 -15.7550
28 C8x C 5.9697 -16.4404
29 C1b C 7.1821 -18.5404
30 C8y C 5.9947 -17.8549
31 C8y C 3.5452 -16.4833
32 C8x C 3.5702 -17.8978
33 C8x C 4.7949 -18.5763
34 C8y C 7.3975 -11.9002
35 C8x C 8.6267 -11.1902
36 C8x C 8.6265 -9.7902
37 C8x C 7.4139 -9.0904
38 C8x C 6.1847 -9.8004
39 C8x C 6.1849 -11.2004
40 C1a C 10.8024 -12.2502
41 O1a O 2.3290 -15.8020
42 C8y C 9.5732 -22.7597
43 C8y C 8.3047 -22.1949
44 C8y C 7.3756 -23.2268
45 N4x N 8.0699 -24.4293
46 C8x C 9.4281 -24.1406
47 C8x C 7.8721 -20.8635
48 C8x C 6.5027 -20.5724
49 C8x C 5.5736 -21.6043
50 C8x C 6.0062 -22.9358
51 C1b C 15.6373 -20.6415
52 C1b C 16.8256 -19.9555
53 C1b C 18.0164 -20.6431
54 C1b C 19.2060 -19.9563
55 N1a N 20.3961 -20.6435
56 C1c C 16.8853 -15.7378
57 C1a C 18.0915 -16.4340
58 C1a C 16.8850 -14.3501
59 C1b C 13.2273 -12.2500
60 O5a O 14.4418 -11.5488
61 C5a C 14.4418 -10.1488
62 C1b C 13.2293 -9.4488
63 S2a S 12.0149 -10.1500
64 C1b C 12.0149 -11.5500
65 N1b N 15.6373 -9.4584
66 C1b C 16.8256 -10.1445
67 C1c C 18.0164 -9.4568
68 C5a C 19.2061 -10.1437
69 O5a O 20.3961 -9.4564
70 N1b N 19.2063 -11.5498
71 N1a N 18.0164 -8.0502
72 C1c C 20.3990 -12.2384
73 C5a C 21.5846 -11.5538
74 O5a O 22.7769 -12.2422
75 N1b N 21.5847 -10.1502
76 C1c C 22.7786 -9.4608
77 C5a C 22.7787 -8.0503
78 N1b N 23.9696 -7.3626
79 O5a O 21.5448 -7.3376
80 C1c C 25.1544 -8.0466
81 C5a C 26.3469 -7.3579
82 N1a N 27.5358 -8.0442
83 O5a O 26.3470 -5.9503
84 C1b C 20.3993 -13.6497
85 C1b C 23.9649 -10.1458
86 C1b C 25.1546 -9.4498
87 C1b C 26.3486 -10.1392
88 C1b C 27.5349 -9.4542
89 C1b C 28.7268 -10.1424
90 N1a N 29.9158 -9.4559
91 S1a S 23.9689 -11.5497
92 C1b C 21.5898 -14.3370
93 C1b C 22.7742 -13.6531
94 C1b C 23.9671 -14.3419
95 N1a N 25.1557 -13.6556
BOND 99
1 1 2 1
2 2 3 2
3 4 5 2
4 5 6 1
5 1 6 1
6 7 8 2
7 8 9 1
8 9 10 1
9 5 10 1
10 2 11 1
11 11 12 1
12 12 13 1
13 13 14 2
14 13 15 1
15 15 16 1
16 16 17 1
17 17 18 2
18 17 19 1
19 19 20 1
20 20 21 1
21 21 22 2
22 21 23 1
23 23 24 1
24 24 8 1
25 16 25 1 #Up
26 1 26 1 #Down
27 27 28 2
28 12 29 1 #Down
29 29 30 1
30 30 28 1
31 27 31 1
32 31 32 2
33 32 33 1
34 30 33 2
35 26 34 1
36 34 35 2
37 35 36 1
38 36 37 2
39 37 38 1
40 38 39 2
41 34 39 1
42 6 40 1
43 31 41 1
44 25 42 1
45 42 43 1
46 43 44 1
47 44 45 1
48 45 46 1
49 42 46 2
50 43 47 2
51 47 48 1
52 48 49 2
53 49 50 1
54 44 50 2
55 20 51 1 #Down
56 51 52 1
57 52 53 1
58 53 54 1
59 54 55 1
60 24 56 1 #Down
61 56 57 1
62 56 58 1
63 10 59 1 #Down
64 60 61 2
65 61 62 1
66 62 63 1
67 63 64 1
68 59 64 1
69 61 65 1
70 65 66 1
71 66 67 1
72 67 68 1
73 68 69 2
74 68 70 1
75 67 71 1 #Down
76 70 72 1
77 72 73 1
78 73 74 2
79 73 75 1
80 75 76 1
81 76 77 1
82 77 78 1
83 77 79 2
84 78 80 1
85 80 81 1
86 81 82 1
87 81 83 2
88 72 84 1 #Down
89 76 85 1 #Down
90 80 86 1 #Down
91 86 87 1
92 87 88 1
93 88 89 1
94 89 90 1
95 85 91 1
96 84 92 1
97 92 93 1
98 93 94 1
99 94 95 1
|
|---|
