Mrv1909 03052019372D 101105 0 0 0 0 999 V2000 5.1402 -0.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3313 0.0425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7866 -0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 0.8239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2583 0.9857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9941 1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 2.3867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1854 1.9289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6125 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 1.4534 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1769 0.7923 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 -0.4676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5322 -1.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3397 -0.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2733 -1.8664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4656 -2.0339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2067 -2.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -2.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8598 -3.7673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 -4.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5349 -4.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2253 -5.3429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0095 -5.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 -5.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 -6.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4073 -5.3828 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9350 -6.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1027 -6.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6435 -6.7098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 -7.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 -8.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4573 -7.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 -8.8918 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1478 -6.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -5.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7329 -5.1385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5178 -5.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 -4.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 -4.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9148 -5.0923 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4388 -4.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3958 -4.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 -3.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6296 -2.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 -1.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 -1.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9897 -2.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1795 -2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2107 2.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7646 1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5084 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0622 0.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8693 0.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4204 -0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1256 1.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5743 1.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 2.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 2.9249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4726 3.3839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7424 4.1999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5489 4.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8038 5.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3156 5.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8038 6.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 6.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 6.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0258 6.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0258 5.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3097 5.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 5.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1642 4.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 5.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3194 4.6683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 5.3082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0162 6.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5274 6.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 7.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8058 8.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5405 8.8918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 5.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6231 5.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3641 4.3372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2078 4.1660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4817 3.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2868 3.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9075 2.7562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 4.7847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4905 5.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5618 4.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6119 1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4204 1.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6119 2.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3716 1.3157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 -0.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1004 0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7996 1.9569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6734 0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 0.3155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7878 -5.1569 0.0000 Lu 0 1 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 8 6 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 13 1 6 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 1 0 0 0 0 19 20 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 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 22 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 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 29 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 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 36 41 1 0 0 0 0 41 42 1 0 0 0 0 19 42 1 0 0 0 0 17 43 2 0 0 0 0 15 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 45 50 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 2 0 0 0 0 52 58 1 0 0 0 0 59 60 2 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 6 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 69 68 2 0 0 0 0 70 69 1 0 0 0 0 71 70 2 0 0 0 0 72 71 1 0 0 0 0 67 72 2 0 0 0 0 64 72 1 0 0 0 0 62 73 1 0 0 0 0 73 74 2 0 0 0 0 73 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 76 82 1 0 0 0 0 82 83 2 0 0 0 0 82 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 1 0 0 0 86 87 2 0 0 0 0 86 88 1 0 0 0 0 8 88 1 0 0 0 0 85 89 1 0 0 0 0 89 90 1 6 0 0 0 89 91 1 0 0 0 0 4 92 1 0 0 0 0 92 93 1 0 0 0 0 92 94 2 0 0 0 0 59 98 1 0 0 0 0 98 51 1 6 0 0 0 98 95 1 0 0 0 0 95 97 1 0 0 0 0 97100 1 0 0 0 0 100 12 1 6 0 0 0 100 99 1 0 0 0 0 11 99 1 0 0 0 0 97 96 2 0 0 0 0 M CHG 4 26 -1 33 -1 40 -1 101 3 M ISO 1 101 177 M END > DB13985 > drugbank > [177Lu+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O > InChI=1S/C65H90N14O19S2.Lu/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+3/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1+2 > MXDPZUIOZWKRAA-PRDSJKGBSA-K > C65H87LuN14O19S2 > 1609.55 > 1608.515088972 > 24 > 188 > -2.267943986547628 > 144.30934256066206 > 0 > 14 > 0 > 0 > (177Lu)lutetium(3+) 2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)-7,10-bis(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate > -0.78 > -8.351902508942787 > -3.95 > 1 > -2 > 6 > -2 > 2.8652480104029667 > 0.466250036507415 > 10.28438052108588 > 505.9499999999999 > 397.3440999999999 > 26 > 0 > 1.93e-01 g/l > (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol > 0 > DB13985 > approved; investigational > Lutetium Lu 177 dotatate > 177Lu-DOTA-octreotate; 177Lu-DOTA-Tyr3-octreotate; 177Lu-dotatate; Dotatate lutenium Lu-177; Lu-DOTA-TATE; Lutetium dotatate Lu-177; lutetium Lu 177 dotatate; Lutetium oxodotreotide Lu-177 > Lutathera $$$$