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Compound Report Overview

Compound Name: NAFARELIN

Compound Identifier: 706516

Mol Structure 2D: 706516

Molecular Weight: 1322

Formula: C66 H83 N17 O13

Development Status: US FDA Approved

SMILES: CC(C)CC(NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CO)NC(=O)C(Cc4c[nH]c5ccccc45)NC(=O)C(Cc6cnc[nH]6)NC(=O)C7CCC(=O)N7)C(=O)NC(CCCNC(=N)N)C(=O)N8CCCC8C(=O)NCC(=O)N

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100222172D 0 0.00000 0.00000 0^^ 96103 0 1 0 999 V2000^ 12.7917 0.1875 0.0000 N 0 0 3 0 0 0 0 0 0^ 12.0792 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1792 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4417 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3292 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8958 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.9042 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.5417 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.7417 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0333 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3958 0.1458 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.0542 -0.2625 0.0000 N 0 0 0 0 0 0 0 0 0^ 13.5875 0.1875 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.7417 0.1458 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.1792 -3.2625 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.0917 0.1458 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.2083 0.1250 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.3125 -0.2625 0.0000 N 0 0 0 0 0 0 0 0 0^ 6.2125 -0.2625 0.0000 N 0 0 0 0 0 0 0 0 0^ 8.4542 0.1458 0.0000 N 0 0 0 0 0 0 0 0 0^ 10.6417 -0.2125 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.7042 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5750 0.1250 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.6250 -0.2625 0.0000 C 0 0 1 0 0 0 0 0 0^ 14.2667 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.0542 0.1458 0.0000 C 0 0 2 0 0 0 0 0 0^ 4.8167 -0.2625 0.0000 C 0 0 1 0 0 0 0 0 0^ 9.1875 -0.2125 0.0000 C 0 0 1 0 0 0 0 0 0^ 11.3250 0.1458 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.3750 1.5083 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.6875 -0.2625 0.0000 C 0 0 1 0 0 0 0 0 0^ 13.4292 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.0083 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9375 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6250 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8958 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5750 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6583 2.3333 0.0000 N 0 0 0 0 0 0 0 0 0^ 15.0750 0.2583 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.1542 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9375 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 16.5917 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0^ 13.4292 2.1083 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.2958 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.0792 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.0542 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4417 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.7417 -0.9625 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.8958 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0^ 5.5417 0.9250 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3292 0.9250 0.0000 O 0 0 0 0 0 0 0 0 0^ 9.9042 0.9250 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0333 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0^ 9.1500 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8167 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.7042 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.3875 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ 14.2667 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0^ 9.1875 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.7708 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0^ 16.5917 1.1333 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.9458 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.7250 3.2583 0.0000 N 0 0 0 0 0 0 0 0 0^ 9.1500 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 15.7750 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 14.1250 3.2583 0.0000 N 0 0 0 0 0 0 0 0 0^ 8.3875 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.6167 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.7875 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ 17.3667 -0.1500 0.0000 N 0 0 0 0 0 0 0 0 0^ 5.5417 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.7042 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.8667 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7417 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.2125 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.5417 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.2125 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.8667 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 13.8542 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.5917 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.4417 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0^ 13.1750 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.3250 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6917 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.8875 -1.7917 0.0000 C 0 0 3 0 0 0 0 0 0^ 9.8542 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6917 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.9625 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.8542 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.9625 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.5417 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.8875 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3667 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.5000 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3667 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.5000 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 35 1 0 0 0^ 4 16 1 0 0 0^ 5 12 1 0 0 0^ 6 17 1 0 0 0^ 7 21 1 0 0 0^ 8 19 1 0 0 0^ 9 20 1 0 0 0^ 10 18 1 0 0 0^ 11 31 1 0 0 0^ 12 14 1 0 0 0^ 13 1 1 0 0 0^ 14 4 1 0 0 0^ 15 22 1 0 0 0^ 16 27 1 0 0 0^ 17 24 1 0 0 0^ 18 23 1 0 0 0^ 19 26 1 0 0 0^ 20 28 1 0 0 0^ 21 29 1 0 0 0^ 22 3 2 0 0 0^ 23 6 1 0 0 0^ 24 5 1 0 0 0^ 13 25 1 1 0 0^ 26 9 1 0 0 0^ 27 8 1 0 0 0^ 28 7 1 0 0 0^ 29 2 1 0 0 0^ 30 44 1 0 0 0^ 31 10 1 6 0 0^ 32 63 1 0 0 0^ 33 11 1 0 0 0^ 34 3 1 0 0 0^ 24 35 1 6 0 0^ 36 37 1 0 0 0^ 23 37 1 1 0 0^ 38 36 1 0 0 0^ 39 25 1 0 0 0^ 40 38 1 0 0 0^ 41 34 1 0 0 0^ 42 65 1 0 0 0^ 43 32 2 0 0 0^ 44 36 2 0 0 0^ 45 2 2 0 0 0^ 26 46 1 6 0 0^ 47 4 2 0 0 0^ 48 9 2 0 0 0^ 49 6 2 0 0 0^ 50 8 2 0 0 0^ 51 5 2 0 0 0^ 52 7 2 0 0 0^ 53 10 2 0 0 0^ 54 57 1 0 0 0^ 27 55 1 6 0 0^ 56 46 1 0 0 0^ 57 56 2 0 0 0^ 58 25 2 0 0 0^ 28 59 1 6 0 0^ 60 33 2 0 0 0^ 61 42 2 0 0 0^ 62 31 1 0 0 0^ 63 88 1 0 0 0^ 64 67 1 0 0 0^ 65 39 1 0 0 0^ 66 32 1 0 0 0^ 67 72 2 0 0 0^ 68 1 1 0 0 0^ 69 62 1 0 0 0^ 70 42 1 0 0 0^ 71 55 1 0 0 0^ 72 56 1 0 0 0^ 73 77 1 0 0 0^ 14 74 1 1 0 0^ 75 71 2 0 0 0^ 76 71 1 0 0 0^ 77 76 2 0 0 0^ 78 75 1 0 0 0^ 79 13 1 0 0 0^ 80 73 1 0 0 0^ 81 74 1 0 0 0^ 82 68 1 0 0 0^ 29 83 1 1 0 0^ 84 34 2 0 0 0^ 85 59 1 0 0 0^ 86 54 1 0 0 0^ 87 41 2 0 0 0^ 88 90 1 0 0 0^ 89 64 1 0 0 0^ 90 83 1 0 0 0^ 91 85 1 0 0 0^ 92 85 1 0 0 0^ 93 84 1 0 0 0^ 94 86 2 0 0 0^ 95 93 2 0 0 0^ 96 89 2 0 0 0^ 79 82 1 0 0 0^ 54 64 2 0 0 0^ 94 96 1 0 0 0^ 78 73 2 0 0 0^ 41 15 1 0 0 0^ 87 95 1 0 0 0^ 30 40 2 0 0 0^ 69 33 1 0 0 0^M END^^

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