Entry |
|
Name |
Gusperimus (INN); 15-Deoxyspergualin |
Formula |
C17H37N7O3
|
Exact mass |
387.2958
|
Mol weight |
387.5208
|
Structure |
|
Simcomp |
|
Remark |
Product (DG00740): | D01566<JP> |
|
Efficacy |
Immunosuppressant |
Comment |
Spergualin [CPD: C16747] analog
|
Interaction |
|
Structure map |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L04 IMMUNOSUPPRESSANTS
L04A IMMUNOSUPPRESSANTS
L04AA Selective immunosuppressants
L04AA19 Gusperimus
D08032 Gusperimus (INN)
|
Other DBs |
|
KCF data |
ATOM 27
1 C1b C 20.5100 -18.6200
2 C1b C 21.7700 -19.3200
3 C1b C 22.9600 -18.6200
4 C1b C 24.1500 -19.3200
5 C1b C 25.4100 -18.6200
6 C1b C 26.6000 -19.3200
7 N1b N 27.7900 -18.6200
8 C2c C 28.9800 -19.3200
9 N1a N 30.2400 -18.6200
10 N2a N 28.9800 -20.7200
11 C5a C 19.3200 -19.3200
12 N1b N 18.1300 -18.6200
13 O5a O 19.3200 -20.7200
14 C1c C 18.1300 -17.2200
15 O1a O 16.8700 -16.5200
16 C5a C 19.3200 -16.5200
17 O5a O 19.3200 -15.1200
18 N1b N 20.5100 -17.2200
19 C1b C 21.7700 -16.5200
20 C1b C 22.9600 -17.2200
21 C1b C 24.1500 -16.5200
22 C1b C 25.4100 -17.2200
23 N1b N 26.6000 -16.5200
24 C1b C 27.7900 -17.2200
25 C1b C 29.0500 -16.5200
26 C1b C 30.2400 -17.2200
27 N1a N 31.4300 -16.5200
BOND 26
1 12 14 1
2 1 2 1
3 14 15 1
4 2 3 1
5 14 16 1
6 3 4 1
7 16 17 2
8 4 5 1
9 16 18 1
10 5 6 1
11 18 19 1
12 6 7 1
13 19 20 1
14 7 8 1
15 20 21 1
16 8 9 1
17 21 22 1
18 8 10 2
19 22 23 1
20 23 24 1
21 1 11 1
22 24 25 1
23 25 26 1
24 11 12 1
25 26 27 1
26 11 13 2
|