Mrv1909 03242215532D 75 77 0 0 1 0 999 V2000 4.8560 -5.7873 0.0000 Lu 0 1 0 0 0 0 0 0 0 0 0 0 -9.9413 1.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2268 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2268 2.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5123 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7978 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0834 1.6623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3689 2.0748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6544 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6544 0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 2.0748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2255 1.6623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5110 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 2.0748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 0.8373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7757 2.0748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7757 2.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 3.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 2.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 3.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 4.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 4.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 5.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 5.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 5.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 4.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0612 4.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 1.6623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2047 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2047 2.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9191 1.6623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6336 2.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3481 1.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3481 0.8373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0625 0.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -0.4001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7770 -0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 -0.4001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7770 -1.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 -2.0501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1216 -3.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9185 -3.6439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5060 -4.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6810 -4.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2685 -3.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2685 -5.0728 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5019 -4.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -4.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5123 -3.2168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2268 -3.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2268 -4.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9413 -4.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5123 -4.8668 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0957 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8821 -1.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0853 -1.6231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4978 -0.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3228 -0.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7353 -0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7353 -1.6231 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5019 -1.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7050 -1.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6336 0.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9191 0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2255 0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 0.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 0.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0834 0.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3689 0.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7978 0.4248 0.0000 O 0 0 0 0 0 0 0 0 0 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 7 6 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 11 1 1 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 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 20 18 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 22 31 2 0 0 0 0 20 32 1 6 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 35 33 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 38 37 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 47 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 54 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 61 66 1 0 0 0 0 66 67 1 0 0 0 0 44 67 1 0 0 0 0 38 68 1 0 0 0 0 68 69 1 0 0 0 0 35 69 1 0 0 0 0 12 70 1 0 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 7 73 1 0 0 0 0 73 74 2 0 0 0 0 73 75 1 0 0 0 0 M CHG 4 1 3 51 -1 58 -1 65 -1 M ISO 1 1 177 M END > DB16778 > drugbank > [177Lu+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H]1CC[C@H](CNC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)CC1)C(O)=O)C(O)=O > InChI=1S/C49H71N9O16.Lu/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61;/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74);/q;+3/p-3/t32-,35-,37-,38-,39-;/m0./s1/i;1+2 > RSTDSVVLNYFDHY-BGOLSCJMSA-K > C49H68LuN9O16 > 1216.074 > 1215.422157133 > 20 > 143 > 2.8029973917327475 > 107.2605691009223 > 0 > 8 > 0 > 0 > (177Lu)lutetium(3+) 2-[4,7-bis(carboxylatomethyl)-10-[({[(1r,4r)-4-{[(1S)-1-{[(5S)-5-carboxy-5-({[(1S)-1,3-dicarboxypropyl]carbamoyl}amino)pentyl]carbamoyl}-2-(naphthalen-2-yl)ethyl]carbamoyl}cyclohexyl]methyl}carbamoyl)methyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetate > 1.52 > -3.510848844546462 > -4.32 > 1 > -5 > 4 > -5 > 2.7051150506077937 > 0.45061706242415905 > 7.012826416726566 > 373.68 > 294.99220000000014 > 27 > 0 > 6.40e-02 g/l > (177Lu)lutetium(3+) 2-[4,7-bis(carboxylatomethyl)-10-[({[(1r,4r)-4-{[(1S)-1-{[(5S)-5-carboxy-5-({[(1S)-1,3-dicarboxypropyl]carbamoyl}amino)pentyl]carbamoyl}-2-(naphthalen-2-yl)ethyl]carbamoyl}cyclohexyl]methyl}carbamoyl)methyl]-1,4,7,10-tetraazacyclododecan-1-yl]acetate > 0 > DB16778 > approved > Lutetium Lu-177 vipivotide tetraxetan > 177Lu-PSMA-617 > 1 Pluvicto; Pluvicto $$$$