Mrv2304 05312323162D 102103 0 0 1 0 999 V2000 5.5449 2.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1324 3.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 3.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4179 3.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 4.2561 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 5.4344 4.6686 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 3.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 3.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 2.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 3.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 3.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 4.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 2.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 3.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 1.7811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 0.5436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8620 0.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1475 1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2814 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 0.1311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7103 0.5436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3405 1.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1374 2.1374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 2.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1374 3.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9624 3.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 4.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7207 2.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5176 2.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 1.7103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4456 2.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1601 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8746 2.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1601 0.8853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3145 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 0.1166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7166 -0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 -1.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7166 -2.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7207 -0.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9239 -0.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 -0.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2814 -1.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -1.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -0.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 0.5436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 0.1311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4344 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1488 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8633 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5778 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2923 0.5436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0067 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0067 -0.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7212 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4357 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1501 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1501 1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8646 0.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5791 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2936 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0080 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7225 0.1311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4370 0.5436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1514 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1514 -0.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8659 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5804 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2949 0.5436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0093 0.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7238 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7238 1.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4383 0.1311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1527 0.5436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8672 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5817 0.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2961 0.1311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0106 0.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2961 -0.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1527 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8672 1.7811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4383 1.7811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2949 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0093 1.7811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5804 1.7811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7225 -0.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4370 -1.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0080 -1.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 -0.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4344 -1.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0054 -1.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3074 4.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8949 5.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0219 5.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5929 4.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 7 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 1 0 0 0 23 24 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 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 34 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 1 0 0 0 0 43 45 2 0 0 0 0 41 46 1 0 0 0 0 46 47 1 0 0 0 0 24 47 1 0 0 0 0 23 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 2 0 0 0 0 17 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 54 53 1 6 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 70 69 1 0 0 0 0 70 71 1 1 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 72 74 1 0 0 0 0 74 75 1 0 0 0 0 76 75 1 0 0 0 0 76 77 1 1 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 78 80 1 0 0 0 0 81 80 1 6 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 81 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 76 90 1 0 0 0 0 90 91 1 0 0 0 0 90 92 2 0 0 0 0 70 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 54 96 1 0 0 0 0 96 97 1 0 0 0 0 96 98 2 0 0 0 0 5 99 1 0 0 0 0 99100 1 0 0 0 0 99101 1 0 0 0 0 99102 1 0 0 0 0 M ISO 1 6 18 M END > DB17851 > drugbank > CC(C)(C)[Si]([18F])(C1=CC=C(C=C1)C(=O)NC[C@@H](NC(=O)CC[C@H](N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(O)=O)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(C)(C)C > InChI=1S/C63H99FN12O25Si/c1-62(2,3)102(64,63(4,5)6)39-14-12-38(13-15-39)54(89)67-34-44(69-49(80)20-18-45(60(99)100)76-32-30-74(36-52(85)86)28-26-73(35-51(83)84)27-29-75(31-33-76)37-53(87)88)55(90)70-41(57(93)94)10-7-8-24-65-46(77)21-22-47(78)66-25-9-11-40(56(91)92)68-48(79)19-16-42(58(95)96)71-61(101)72-43(59(97)98)17-23-50(81)82/h12-15,40-45H,7-11,16-37H2,1-6H3,(H,65,77)(H,66,78)(H,67,89)(H,68,79)(H,69,80)(H,70,90)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H2,71,72,101)/t40-,41-,42+,43+,44-,45+/m1/s1/i64-1 > QMGJNAVROCDAIW-MQNQVPOESA-N > C63H99FN12O25Si > 1470.63 > 1469.662295938 > 29 > 201 > 9.244385615383125 > 148.4755777022366 > 0 > 17 > 0 > 0 > (2S)-2-({[(1S)-1-carboxy-3-{[(1R)-1-carboxy-4-(3-{[(5R)-5-carboxy-5-[(2R)-2-[(4S)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanamido]-3-({4-[di-tert-butyl((18F)fluoro)silyl]phenyl}formamido)propanamido]pentyl]carbamoyl}propanamido)butyl]carbamoyl}propyl]carbamoyl}amino)pentanedioic acid > -4.125800000000001 > 0 > -8 > 2 > -9 > 564.39 > 349.6634000000002 > 45 > 0 > (2S)-2-({[(1S)-1-carboxy-3-{[(1R)-1-carboxy-4-(3-{[(5R)-5-carboxy-5-[(2R)-2-[(4S)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanamido]-3-({4-[di-tert-butyl((18F)fluoro)silyl]phenyl}formamido)propanamido]pentyl]carbamoyl}propanamido)butyl]carbamoyl}propyl]carbamoyl}amino)pentanedioic acid > 0 > DB17851 > approved; investigational > Flotufolastat F-18 > 18F-rhPSMA-7.3; Flotufolastat (18F); Flotufolastat F 18; rhPSMA-7.3C > Posluma > Posluma $$$$