37 Mrv1652306131721582D 35 0 0 1 0 999 V2000型5.5732 3.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8588 4.3885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8588 5.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 5.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5732 5.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5732 6.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 3.9760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 3.1510 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 3.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 2.3260 0.0000 O0 0 0 0 0 0 0 3.4298 1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 1.0885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0973 0.6036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8423 -0.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0173 -0.1811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7624 0.6036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 -0.8485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5626 -2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 -2.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.4297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7119 -0.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3764 -0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -3.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2337 -3.6907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5692 -4.4444 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8819 0.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9693 3.1510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3818 2.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 2.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6193 1.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3818 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9693 1.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 17 23 1 0 0 0 0 23 24 2 0 0 0 0 19 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 13 28 1 1 0 0 0 8 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 30 35 1 0 0 0 0 M END >
DB05116 >
drugbank >
COC (= O) [C@H] (C) NP (= O) (OC (C@H) 1 O [C@H] (C [C@@H] 1 O) N1C = C (\ C = C \ Br) C = O NC1 = O) OC1 C1 = CC = CC = >
InChI = 1 s / C21H25BrN3O9P c1-13(20(28) 31-2)巢族(30,34-15-6-4-3-5-7-15)32-12-17-16 (26)10 - 18 (33-17)25-11-14 (8-9-22)19 (27)23-21 (25)29 / h3-9、11、13、16 - 26 H, 10, 12个h2, 1-2H3, (H, 24岁,30)(27 H, 23日,29)/ b9-8 + / t13 - 16 - 17 + 18 + 35吗?/ mo / s1 >
CFBLUORPOFELCE-BACVZHSASA-N >
C21H25BrN3O9P >
574.321 >
573.051179 >
6 >
60 >
50.22315526748778 >
0 >
3 >
0 >
0 >
甲基(2S)-2-[({[(2R,3S,5R)-5-{5-[(E)-2-溴乙基]-2,4-二氧基-1,2,3,4-四氢嘧啶-1-基}-3-羟氧基-2-基]甲氧基}(苯氧基)磷基)氨基]丙酸>
1.33 >
1.257227430666666 >
-3.85 >
1 >
3 >
0 >
10.35944778867041 >
9.621753890881072 >
-3.2403221538573117 >
152.72999999999996 >
124.5892 >
11 >
0 >
8.09e-02 g/l >
thymectacin >
0 >
DB05116 >
临床实验的>
Thymectacin $ $ $ $