Mrv1909 12152018182D 67 68 0 0 1 0 999 V2000 11.4315 -17.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -18.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -17.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0039 -17.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -17.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -17.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8618 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 -17.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4341 -16.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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32.8657 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8657 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5801 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1512 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.1512 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8657 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5801 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2946 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 -16.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0091 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2946 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5801 -15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2946 -14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.2946 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5801 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8657 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1512 -17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0078 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 -14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2933 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5788 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 -16.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -16.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -16.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -16.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 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 2 0 0 0 0 17 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 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 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 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 41 43 2 0 0 0 0 39 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 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 47 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 45 55 1 0 0 0 0 55 56 1 0 0 0 0 36 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 34 61 2 0 0 0 0 29 61 1 0 0 0 0 11 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 2 0 0 0 0 6 65 1 0 0 0 0 65 66 1 0 0 0 0 65 67 2 0 0 0 0 M END > DB16303 > drugbank > OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=CC=C(O)C(CN(CCN(CC(O)=O)CC2=CC(CCC(O)=O)=CC=C2O)CC(O)=O)=C1)C(O)=O)C(O)=O > InChI=1S/C44H62N6O17/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)/t32-,33-/m0/s1 > QJUIUFGOTBRHKP-LQJZCPKCSA-N > C44H62N6O17 > 947.005 > 946.41714456 > 19 > 129 > -4.175134503112083 > 98.30024419834805 > 0 > 12 > 0 > 0 > (2S)-2-({[(1S)-1-carboxy-5-(6-{3-[3-({[2-({[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl}(carboxymethyl)amino)ethyl](carboxymethyl)amino}methyl)-4-hydroxyphenyl]propanamido}hexanamido)pentyl]carbamoyl}amino)pentanedioic acid > 0.41 > -3.151674027464621 > -4.21 > 0 > -5 > 2 > -5 > 1.5035308967346142 > 0.8536461366187529 > 9.496675412020986 > 370.07 > 235.63620000000014 > 35 > 0 > 5.90e-02 g/l > 5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione > 0 > DB16303 > approved; investigational > Gallium-68 PSMA > Psma-hbed-cc > Illuccix; Locametz $$$$