Mrv1572010011511292D 95102 0 0 0 0 999 V2000 -0.2865 -2.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2865 -3.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -4.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7154 -2.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7154 -3.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -2.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9829 -3.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4981 -4.0218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2595 0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2595 -0.7452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5450 0.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -1.1577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 0.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 -1.1577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4016 -0.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3127 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 -0.7451 0.0000 C 0 0 2 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 -6.4421 -3.2517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3615 -2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -3.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0014 -2.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2542 -3.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 -2.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0608 -3.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 0.0799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0284 0.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0284 1.3174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7429 0.0800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5994 1.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9316 1.8017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3452 0.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2646 1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5201 0.5317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7740 1.6705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7814 2.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4989 3.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 3.0994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0700 3.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2854 4.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8004 3.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2852 2.8443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9754 3.5119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6885 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -1.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6885 0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 0.4922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9741 1.3172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6885 1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6885 2.5547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 1.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 1.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2596 2.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 2.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8306 2.5548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 2.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4017 2.5549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 3.7923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0207 3.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2749 3.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3555 3.0402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1000 3.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7845 3.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7845 1.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 2.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 1.8027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7845 0.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4989 0.1527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 0.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 -2.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 10 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 1 0 0 0 20 23 1 0 0 0 0 25 24 1 0 0 0 0 26 24 2 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 29 28 2 0 0 0 0 22 24 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 6 0 0 0 31 35 2 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 6 0 0 0 38 39 1 0 0 0 0 36 40 2 0 0 0 0 39 41 2 0 0 0 0 42 41 1 0 0 0 0 43 39 1 0 0 0 0 44 42 1 0 0 0 0 46 45 1 0 0 0 0 47 45 2 0 0 0 0 48 46 2 0 0 0 0 43 47 1 0 0 0 0 44 48 1 0 0 0 0 44 43 2 0 0 0 0 37 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 51 53 1 1 0 0 0 53 54 1 0 0 0 0 55 54 1 0 0 0 0 56 54 2 0 0 0 0 57 55 2 0 0 0 0 58 56 1 0 0 0 0 58 57 1 0 0 0 0 59 51 1 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 62 60 1 6 0 0 0 64 63 1 0 0 0 0 62 63 1 0 0 0 0 65 64 1 0 0 0 0 66 62 1 0 0 0 0 66 65 1 0 0 0 0 65 67 2 0 0 0 0 12 68 1 6 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 11 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 73 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 81 82 1 0 0 0 0 81 83 2 0 0 0 0 75 84 1 0 0 0 0 85 84 1 0 0 0 0 86 75 1 0 0 0 0 87 85 1 0 0 0 0 87 86 1 0 0 0 0 90 88 2 0 0 0 0 91 89 1 0 0 0 0 91 90 1 0 0 0 0 86 90 1 1 0 0 0 89 92 1 0 0 0 0 92 93 1 0 0 0 0 92 94 2 0 0 0 0 34 95 1 0 0 0 0 M END > DB06825 > drugbank > CC(C)C[C@H](NC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O > InChI=1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)/t44-,45-,46-,47-,48+,49-,50-,51-,52-/m0/s1 > VXKHXGOKWPXYNA-PGBVPBMZSA-N > C64H82N18O13 > 1311.473 > 1310.630874772 > 17 > 177 > 135.22970474389967 > 0 > 18 > 0 > 0 > (2S)-N-[(2S)-5-carbamimidamido-1-[(2S)-2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-[(2R)-2-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamide > 1.07 > -3.5860375370969124 > -4.63 > 1 > 8 > 1 > 10.984429469906525 > 9.489440479428891 > 11.536898141787088 > 487.91999999999985 > 352.4318000000001 > 33 > 0 > 3.05e-02 g/l > triptorelin > 0 > DB06825 > approved; vet_approved > Triptorelin > (6-D-Tryptophan)luteinizing hormone-releasing hormone; (D-Trp6)-GnRH; Luteinizing hormone-releasing factor (pig), 6-D-tryptophan; pGlu-His-Trp-Ser-Tyr-D-Trp-Leu-Arg-Pro-Gly-NH2 ; Triptorelin; Triptorelina; Triptoreline; Triptorelinum > Decapeptyl; Trelstar; Triptodur > Diphereline; Gonapeptyl; Variopeptyl > Triptorelin acetate; Triptorelin pamoate $$$$