Mrv1909 12222119272D 68 68 0 0 1 0 999 V2000 -5.1371 7.3466 0.0000 Ga 0 1 0 0 0 0 0 0 0 0 0 0 -5.1371 4.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1357 8.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1357 -3.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 -8.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 1.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 4.8717 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5646 6.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -7.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 7.7592 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7081 6.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7221 -8.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -10.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 -9.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 12.2967 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4225 11.0592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7221 -12.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 -10.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 5.2841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 7.3466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -3.7909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 -7.5034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 0.3341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1511 -8.7410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 6.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 6.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 4.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 7.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 -5.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 4.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7221 -6.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 -5.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 4.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 7.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7221 -7.0909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5646 8.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1357 -1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2932 -4.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1357 -2.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 2.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 3.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5786 -2.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 3.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 -0.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 8.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 8.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 9.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 2.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5786 -3.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 2.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 1.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 5.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 10.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 -7.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 7.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 9.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 10.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 -8.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1511 -9.5659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9936 11.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 -9.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 -10.8034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -9.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 11.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7221 -11.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 45 1 0 0 0 0 3 49 1 0 0 0 0 4 52 2 0 0 0 0 5 57 1 0 0 0 0 6 54 2 0 0 0 0 7 55 1 0 0 0 0 8 55 2 0 0 0 0 9 57 2 0 0 0 0 10 58 1 0 0 0 0 11 58 2 0 0 0 0 12 61 2 0 0 0 0 13 66 1 0 0 0 0 14 66 2 0 0 0 0 15 67 1 0 0 0 0 16 67 2 0 0 0 0 17 68 1 0 0 0 0 18 68 2 0 0 0 0 19 25 1 0 0 0 0 19 27 1 0 0 0 0 19 33 1 0 0 0 0 20 26 1 0 0 0 0 20 28 1 0 0 0 0 20 34 1 0 0 0 0 21 38 1 0 0 0 0 21 52 1 0 0 0 0 35 22 1 6 0 0 0 22 61 1 0 0 0 0 23 46 1 0 0 0 0 23 54 1 0 0 0 0 24 61 1 0 0 0 0 62 24 1 6 0 0 0 25 26 1 0 0 0 0 27 30 1 0 0 0 0 28 36 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 42 1 0 0 0 0 30 45 2 0 0 0 0 31 35 1 0 0 0 0 32 38 1 0 0 0 0 33 55 1 0 0 0 0 34 58 1 0 0 0 0 35 57 1 0 0 0 0 36 48 1 0 0 0 0 36 49 2 0 0 0 0 37 39 1 0 0 0 0 37 41 1 0 0 0 0 39 44 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 40 51 1 0 0 0 0 41 46 1 0 0 0 0 43 47 1 0 0 0 0 44 52 1 0 0 0 0 45 53 1 0 0 0 0 47 54 1 0 0 0 0 48 50 2 0 0 0 0 49 59 1 0 0 0 0 50 56 1 0 0 0 0 50 60 1 0 0 0 0 51 53 2 0 0 0 0 56 63 1 0 0 0 0 59 60 2 0 0 0 0 62 64 1 0 0 0 0 62 66 1 0 0 0 0 63 67 1 0 0 0 0 64 65 1 0 0 0 0 65 68 1 0 0 0 0 M CHG 4 1 3 7 -1 10 -1 15 -1 M ISO 1 1 68 M END > DB16019 > drugbank > [68Ga+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=CC(CN(CCN(CC([O-])=O)CC2=C(O)C=CC(CCC([O-])=O)=C2)CC([O-])=O)=C(O)C=C1)C(O)=O)C(O)=O > InChI=1S/C44H62N6O17.Ga/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58;/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67);/q;+3/p-3/t32-,33-;/m0./s1/i;1-2 > AEBYHKKMCWUMKX-LNTZDJBBSA-K > C44H59GaN6O17 > 1011.909 > 1011.321652961 > 19 > 127 > 2.958467491418695 > 95.33418923825226 > 0 > 9 > 0 > 0 > (68Ga)gallium(3+) 3-(3-{[(2-{[(5-{2-[(5-{[(5S)-5-carboxy-5-({[(1S)-1,3-dicarboxypropyl]carbamoyl}amino)pentyl]carbamoyl}pentyl)carbamoyl]ethyl}-2-hydroxyphenyl)methyl](carboxylatomethyl)amino}ethyl)(carboxylatomethyl)amino]methyl}-4-hydroxyphenyl)propanoate > 1.46 > -3.1516740274646193 > -4.97 > 0 > -5 > 2 > -5 > 1.5035308967346133 > 0.8536461366187538 > 9.496675412020986 > 378.5599999999999 > 268.1475 > 35 > 0 > 1.21e-02 g/l > (68Ga)gallium(3+) 3-(3-{[(2-{[(5-{2-[(5-{[(5S)-5-carboxy-5-({[(1S)-1,3-dicarboxypropyl]carbamoyl}amino)pentyl]carbamoyl}pentyl)carbamoyl]ethyl}-2-hydroxyphenyl)methyl](carboxylatomethyl)amino}ethyl)(carboxylatomethyl)amino]methyl}-4-hydroxyphenyl)propanoate > 0 > DB16019 > approved > Gallium Ga-68 gozetotide > (68)Ga Labeled Glu-NH-CO-NH-Lys(ahx)-hbed-CC; (68Ga)Hbed-psma; (68Ga)Psma-hbed-CC; 68Ga-Psma-11; 68Ga-Psma-hbed-CC; DKFZ-PSMA-11 Ga-68; Ga-68 PSMA-11; Ga-68-Labeled PSMA-11; Ga-Psma-hbed-CC Ga-68; Gallium (68Ga) gozetotide; Gallium Ga 68 PSMA-11; Gallium Ga 68-labeled psma ligand Glu-urea-Lys(ahx)-hbed-CC; PSMA-11 Ga 68; PSMA-11 Ga-68; Psma-hbed-CC Ga-68 > Gallium Ga-68 PSMA-11; Illuccix > Prostamedix $$$$