Mrv1909 01032022362D 104109 0 0 0 0 999 V2000 7.1011 0.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 0.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 0.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9433 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 0.9359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 0.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7048 0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4529 0.9359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7048 0.9359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 0.4917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0567 0.9359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2452 0.9359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4030 0.5551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7992 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1011 -3.1257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7947 0.4893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 1.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9433 -0.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 -0.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 -0.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 1.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0567 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7992 -1.9198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4972 -3.1257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4529 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4529 3.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 3.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 -0.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -0.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9433 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1011 -1.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1011 -0.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9433 2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7048 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8654 -0.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 -0.3468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7587 -1.6744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1712 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9517 -1.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 -2.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 -3.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9449 -3.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7889 -3.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4599 -4.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3039 -3.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6395 -4.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2158 0.9030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2190 1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9288 0.4878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 2.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4228 2.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 3.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2012 2.4257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4078 3.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9948 4.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7903 4.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6448 0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6472 1.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3629 0.4855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0763 0.8999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3629 -0.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6484 -0.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8947 -0.4163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5621 -1.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3426 -1.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 -1.7440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7918 0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5054 0.9046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7942 -0.3394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2603 0.5716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5888 1.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8102 1.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3952 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6310 1.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1057 1.7579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7730 2.2429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4380 2.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5179 3.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6931 3.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 1.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 2.2429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9165 1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6310 2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 -4.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3193 -3.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 -4.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 -2.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -4.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -3.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9173 -4.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6245 -2.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 0 0 0 0 20 1 2 0 0 0 0 9 2 1 0 0 0 0 8 2 1 0 0 0 0 21 2 2 0 0 0 0 7 3 1 0 0 0 0 23 3 2 0 0 0 0 11 4 1 0 0 0 0 13 4 1 0 0 0 0 25 4 2 0 0 0 0 10 5 1 0 0 0 0 14 5 1 0 0 0 0 24 5 2 0 0 0 0 12 6 1 0 0 0 0 15 6 1 0 0 0 0 22 6 2 0 0 0 0 8 7 1 0 0 0 0 8 32 1 6 0 0 0 14 9 1 0 0 0 0 13 10 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 13 18 1 1 0 0 0 14 26 1 1 0 0 0 15 27 1 1 0 0 0 16 39 1 6 0 0 0 28 17 1 0 0 0 0 19 17 2 0 0 0 0 29 17 1 0 0 0 0 30 26 1 0 0 0 0 40 27 1 0 0 0 0 41 28 1 0 0 0 0 33 30 1 0 0 0 0 34 30 2 0 0 0 0 35 31 1 0 0 0 0 37 31 1 0 0 0 0 36 31 2 0 0 0 0 38 32 1 0 0 0 0 35 33 2 0 0 0 0 36 34 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 40 1 0 0 0 0 42 41 1 0 0 0 0 18 45 1 0 0 0 0 45 46 1 0 0 0 0 48 46 2 0 0 0 0 49 47 1 0 0 0 0 50 47 1 0 0 0 0 48 47 1 0 0 0 0 49 45 2 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 51 2 0 0 0 0 54 52 2 0 0 0 0 55 53 1 0 0 0 0 56 54 1 0 0 0 0 56 55 2 0 0 0 0 3 57 1 0 0 0 0 57 58 1 1 0 0 0 57 59 1 0 0 0 0 61 60 1 0 0 0 0 62 60 2 0 0 0 0 64 62 1 0 0 0 0 64 63 1 0 0 0 0 58 60 1 0 0 0 0 63 65 1 0 0 0 0 66 65 2 0 0 0 0 61 63 2 0 0 0 0 67 66 1 0 0 0 0 68 61 1 0 0 0 0 68 67 2 0 0 0 0 59 69 1 0 0 0 0 69 70 2 0 0 0 0 69 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 6 0 0 0 75 74 1 0 0 0 0 76 74 2 0 0 0 0 77 75 2 0 0 0 0 78 76 1 0 0 0 0 78 77 1 0 0 0 0 73 74 1 0 0 0 0 72 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 2 0 0 0 0 82 80 1 0 0 0 0 80 83 1 1 0 0 0 84 82 1 0 0 0 0 85 83 1 0 0 0 0 85 84 1 0 0 0 0 84 86 2 0 0 0 0 1 87 1 0 0 0 0 88 87 1 0 0 0 0 89 87 1 0 0 0 0 90 88 1 0 0 0 0 91 89 1 0 0 0 0 91 90 1 0 0 0 0 93 92 2 0 0 0 0 94 92 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 88 92 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98100 2 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102104 2 0 0 0 0 M END > DB06788 > drugbank > CC(O)=O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CN(CC2=CC=CC=C2)C=N1)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 > InChI=1S/C66H86N18O12.2C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53+,54-,55-;;/m0../s1 > BKEMVGVBBDMHKL-VYFXDUNUSA-N > C70H94N18O16 > 1443.632 > 1442.709519019 > 17 > 198 > 1.382191134603653 > 138.34347836965958 > 0 > 16 > 0 > 0 > (2S)-1-[(2S)-2-[(2S)-2-[(2R)-3-(1-benzyl-1H-imidazol-4-yl)-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]propanamido]-4-methylpentanamido]-5-carbamimidamidopentanoyl]-N-ethylpyrrolidine-2-carboxamide; bis(acetic acid) > -2.138446574944563 > 1 > 1 > 8 > 1 > 11.002548506563544 > 9.489842681360276 > 11.590277135115848 > 446.85999999999984 > 360.07339999999994 > 34 > 0 > (2S)-2-({4-[(2E)-N-({2-amino-4-oxo-1H-pyrido[3,2-d]pyrimidin-6-yl}methyl)-3-{5-carbamoyl-3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}prop-2-enamido]phenyl}formamido)pentanedioic acid > 0 > DB06788 > approved; withdrawn > Histrelin > [(im-Bzl)-D-His6,Pro9-NEt]-gonadotropin releasing hormone; 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide; 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-Nτ-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide ; Histrelin; histrelina; histreline; histrelinum; L-pyroglutamyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-Nim-benzyl-histidyl-L-leucyl-L-arginyl-L-proline ethylamide > Supprelin LA; Vantas > Supprelin; Supprelin LA; Vantas > Histrelin acetate $$$$