666 Mrv0541 02231214542D 96103 0 0 1 0 999 V2000 7.0944 5.7442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9769 6.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 2.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 2.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5901 7.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -0.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -8.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 -8.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -5.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -1.6810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -4.5685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 -2.9185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -2.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 5.7442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 4.0942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 7.9237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 2.0316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 4.5067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 0.3816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0316 8.7728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -1.6810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9117 -7.9456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 4.5067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -7.0436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -5.3936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 3.2691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -3.3310 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6517 -4.8424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6096 -5.8106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8291 -6.3535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 6.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7722 6.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3597 6.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9117 5.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 5.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 4.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1923 7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 4.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 4.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 3.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 3.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 4.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9359 3.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6339 8.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7610 3.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 4.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 1.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4186 8.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2379 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 4.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -0.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -8.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -9.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -4.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7722 -9.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -6.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9524 1.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -4.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -7.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -2.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3597 -8.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 0.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -7.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -5.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -4.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8089 -2.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0944 -4.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3814 1.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -0.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6668 2.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -5.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2021 -4.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0587 -5.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5234 -6.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1189 0.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1189 2.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4169 -5.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8664 0.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8023 -6.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8664 1.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2771 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1607 -6.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -0.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -2.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3534 -6.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -1.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4166 -5.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 35 2 0 0 0 0 2 37 2 0 0 0 0 3 41 2 0 0 0 0 4 48 2 0 0 0 0 5 50 2 0 0 0 0 6 55 2 0 0 0 0 7 65 2 0 0 0 0 8 67 2 0 0 0 0 9 70 2 0 0 0 0 10 72 2 0 0 0 0 11 73 2 0 0 0 0 12 78 1 0 0 0 0 13 95 1 0 0 0 0 14 31 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 41 1 0 0 0 0 16 37 1 0 0 0 0 16 45 1 0 0 0 0 17 40 1 0 0 0 0 17 48 1 0 0 0 0 18 43 1 0 0 0 0 18 52 1 0 0 0 0 19 49 1 0 0 0 0 19 55 1 0 0 0 0 20 50 1 0 0 0 0 21 54 1 0 0 0 0 21 72 1 0 0 0 0 22 56 1 0 0 0 0 22 67 1 0 0 0 0 23 52 1 0 0 0 0 24 61 1 0 0 0 0 24 65 1 0 0 0 0 25 59 1 0 0 0 0 25 70 1 0 0 0 0 26 52 2 0 0 0 0 27 66 1 0 0 0 0 27 73 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 81 1 0 0 0 0 29 96 2 0 0 0 0 30 90 1 0 0 0 0 30 96 1 0 0 0 0 31 32 1 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 43 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 44 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 45 50 1 0 0 0 0 48 49 1 0 0 0 0 49 51 1 0 0 0 0 51 53 1 0 0 0 0 53 62 2 0 0 0 0 53 63 1 0 0 0 0 54 55 1 0 0 0 0 54 58 1 0 0 0 0 56 57 1 0 0 0 0 56 65 1 0 0 0 0 57 60 1 0 0 0 0 58 75 1 0 0 0 0 59 64 1 0 0 0 0 59 73 1 0 0 0 0 60 67 1 0 0 0 0 61 69 1 0 0 0 0 61 70 1 0 0 0 0 62 68 1 0 0 0 0 63 76 2 0 0 0 0 64 71 1 0 0 0 0 66 72 1 0 0 0 0 66 78 1 0 0 0 0 68 74 1 0 0 0 0 68 82 2 0 0 0 0 69 81 1 0 0 0 0 71 77 1 0 0 0 0 71 79 2 0 0 0 0 74 76 1 0 0 0 0 74 83 2 0 0 0 0 75 84 2 0 0 0 0 75 85 1 0 0 0 0 77 80 1 0 0 0 0 77 86 2 0 0 0 0 80 88 2 0 0 0 0 81 90 2 0 0 0 0 82 87 1 0 0 0 0 83 89 1 0 0 0 0 84 92 1 0 0 0 0 85 93 2 0 0 0 0 86 91 1 0 0 0 0 87 89 2 0 0 0 0 88 94 1 0 0 0 0 91 94 2 0 0 0 0 92 95 2 0 0 0 0 93 95 1 0 0 0 0 M END > T3D2855 > t3db > CC(C)CC(NC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CNC=N1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)NCC(N)=O > InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71) > RWHUEXWOYVBUCI-UHFFFAOYSA-N > C66H83N17O13 > 1322.4713 > 1321.635625827 > 17 > 137.29281365114417 > 0 > 17 > 0 > 0 > N-(5-carbamimidamido-1-{2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl}-1-oxopentan-2-yl)-2-{2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]-3-(naphthalen-2-yl)propanamido}-4-methylpentanamide > 1.21 > -2.6955841196276653 > -4.90 > 1 > 8 > 1 > 10.979165283699096 > 9.489206120535199 > 11.918509942804732 > 472.12999999999977 > 357.7955000000003 > 33 > 0 > 1.66e-02 g/l > nafarelin > 0 > T3D2855 > Nafarelin > 76932-56-4 > Nafarelil; Nafarelin acetate; Nafarelina; Nafaréline; Nafarelinum; Nasanyl; Synarel; Synarela; Synrelina > Organic Compound; Amine; Amide; Drug; Metabolite; Antiendometriotic Agent; Fertility Agent, Female; Gonadotropin-Releasing Hormone; Synthetic Compound; Gonadotropin-releasing hormone agonist $$$$