Mrv1909 11291916192 d 57 60 0 0 0 0 999 V2000型-3.0036 -2.0639 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5752 -2.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 -1.4510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1243 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1359 0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 1.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8296 2.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 1.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 - 2.08190.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6511 1.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 0.9142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 1.5782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0598 2.1284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5405 2.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2826 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9866 1.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2674 2.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9972 1.8004 0.0000 C 0 0 0 0 0 0 0 0 00 0 0 2.5901 2.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 2.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4195 3.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6854 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9286 0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 0.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -0.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5348 1.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 - -0.94770.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.5535 -1.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3854 -2.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3826 -0.9263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -2.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3924 -2.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7462 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5749 -1.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 -2.2987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2.7460 -2.3701 0.0000 C0 0 0 0 0 0 0 0 3.2186 -1.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0428 -1.7653 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5152 -1.0892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3896 -2.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8567 -1.6221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0476 -0.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 0.9317 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 -2.9001 2.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2591 1.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 2.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8567 1.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2924 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2175 -1.9263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7742 -2.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9685 -3.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6528 0.0763 0.0000 Pd 0 2 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 11 1 0 0 0 0 15 16 1 1 0 0 0 15 17 1 6 0 0 0 14 18 1 1 0 0 0 14 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 24 13 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 29 2 0 0 0 0 24 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 33 32 2 0 0 0 0 34 33 1 0 0 0 0 1 34 1 0 0 0 0 34 35 2 0 0 0 0 4 35 1 0 0 0 0 32 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 2 0 0 0 0 43 46 1 0 0 0 0 39 47 2 0 0 0 0 38 30 1 0 0 0 0 48 9 1 0 0 0 0 6 48 1 0 0 0 0 8 49 1 0 0 0 0 7 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 3 53 1 1 0 0 0 3 54 1 0 0 0 0 1 55 1 6 0 0 0 55 56 1 0 0 0 0 M CHG 3 31 -1 48 -1 57 2 M END >
DB15575 >
drugbank >
[Pd + +]。[H] [C@] 1 (C) \ C2 = C \ C3 = C (C (C) = O) C (C) = C ((N -) 3) \ C = C3 / N = C (/ C (/ CC (= O) OC) = C4 \ [N -] \ C (= C / C (= N2) [C@] 1 [H]) (CC) C (C) = C4C (= O)国立细胞科学中心(O) (= O) = O) [C@@] ([H]) (CCC (O) = O) (C@) 3 ([H]) C >
InChI = 1 s / C37H45N5O9S.Pd c1-8-22-17(2) 25-16-30-33(21(6) 43) 19(4) 27(40-30) 14-26-18(3) 23(9-10-31(44) 45) 35(41-26) 24(13-32(46) 51-7) 36-34(37(47) 38-11-12-52(48岁,49)50)20(5)28(未)15 - 29 (22)39-25;/ h14-18 22-23H, 8-13H2, 1-7H3, (H5、38、39、40、41、42、43、44、45岁,47岁,48岁,49岁,50);/ q; + 2 / p 2 / t17 - 18 +, 22 - 23 +, / m1。/ s1 >
MZRDSGWDVDESRC-VNWQTDIGSA-L >
C37H43N5O9PdS >
840.26 >
839.181629 >
12 >
96年>
78.89329798263755 >
0 >
3 >
0 >
0 >
钯(2+)(4S,5S,14R,15R)-10-乙酰基-4-(2-羧基乙基)-15-乙基-2-(2-甲氧基-2-氧乙基)-5,9,14,19-四甲基-20-[(2-磺乙基)氨基甲酰基]-21,22,23,24-四氮五环[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]四边形-1,3(24)，6,8,10,12,16(22)，17,19-壬烯-21,23-二烷基>
2.76 >
-0.2694747999840856 >
-4.42 >
1 >
5 >
2 >
3.652219293411576 >
-1.1544485901458597 >
6.03206853841102 >
215.7 >
193.49250000000004 >
12 >
0 >
3.44e-02 g/l >
钯(2+)(4S,5S,14R,15R)-10-乙酰基-4-(2-羧基乙基)-15-乙基-2-(2-甲氧基-2-氧乙基)-5,9,14,19-四甲基-20-[(2-磺乙基)氨基甲酰基]-21,22,23,24-四氮五环[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]四边形-1,3(24)，6,8,10,12,16(22)，17,19-壬烯-21,23-二烷基>
0 >
DB15575 >
批准;实验>
Padeliporfin >
Padeliporfin >
Tookad >
帕德利波芬钾$$$$