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Compound Report Overview

Compound Name: BUSERELIN

Compound Identifier: 702585

Mol Structure 2D: 702585

Molecular Weight: 1239

Formula: C60 H86 N16 O13

Development Status: Launched outside US, not listed by FDA

SMILES: CCNC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CO)(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]cn5)NC(=O)C6CCC(=O)N6)C(C)(C)C

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100222572D 0 0.00000 0.00000 0^^ 89 94 0 1 0 999 V2000^ 11.2792 -2.9417 0.0000 N 0 0 3 0 0 0 0 0 0^ 10.6625 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6292 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.6917 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7917 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.0042 -2.8917 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.8667 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8042 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1375 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.6667 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0833 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 -2.8625 0.0000 N 0 0 0 0 0 0 0 0 0^ 5.4042 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.5042 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0^ 11.9917 -2.9417 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.1792 -2.8917 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.6292 -5.6792 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.4625 -2.8917 0.0000 N 0 0 0 0 0 0 0 0 0^ 7.3667 -2.9417 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.4500 -2.8917 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.3833 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0^ 9.3250 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.2417 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7708 -2.8917 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.1625 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0^ 4.1417 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0^ 8.0125 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0^ 12.6375 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.9917 -2.9417 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.1292 -1.4292 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.7333 -3.2500 0.0000 C 0 0 1 0 0 0 0 0 0^ 11.9792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.9708 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3292 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1625 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1625 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7708 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8708 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.1583 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3292 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.9792 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.5083 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.6625 -3.9375 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.0042 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7917 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.6917 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.6667 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.8042 -2.0750 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.8667 -2.1625 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1375 -3.9625 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0833 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.1417 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.6375 -3.9625 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.0000 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ -5.6083 -2.8917 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.9958 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.6917 -1.6250 0.0000 O 0 0 0 0 0 0 0 0 0^ 11.2792 -0.6667 0.0000 N 0 0 0 0 0 0 0 0 0^ 6.6917 -0.7292 0.0000 C 0 0 3 0 0 0 0 0 0^ 13.2792 -2.9417 0.0000 N 0 0 0 0 0 0 0 0 0^ 12.5792 -0.6667 0.0000 N 0 0 0 0 0 0 0 0 0^ 11.0542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.7250 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8417 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.1792 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1792 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.5167 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8417 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4917 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.1792 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.2750 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.8375 -5.8167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8417 -1.8250 0.0000 O 0 0 0 0 0 0 0 0 0^ 11.6417 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.9917 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0375 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.6167 -4.6000 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.0375 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.6917 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.0792 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.4250 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ 13.8917 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.6042 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.6042 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.6167 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.3875 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ 14.6542 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7042 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7042 -5.4250 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 19 1 0 0 0^ 5 18 1 0 0 0^ 6 4 1 0 0 0^ 7 14 1 0 0 0^ 8 13 1 0 0 0^ 9 20 1 0 0 0^ 10 22 1 0 0 0^ 11 21 1 0 0 0^ 12 31 1 0 0 0^ 13 6 1 0 0 0^ 14 16 1 0 0 0^ 15 1 1 0 0 0^ 16 5 1 0 0 0^ 17 23 1 0 0 0^ 18 26 1 0 0 0^ 19 27 1 0 0 0^ 20 25 1 0 0 0^ 21 24 1 0 0 0^ 22 29 1 0 0 0^ 23 3 2 0 0 0^ 24 9 1 0 0 0^ 25 7 1 0 0 0^ 26 8 1 0 0 0^ 27 10 1 0 0 0^ 15 28 1 1 0 0^ 29 2 1 0 0 0^ 30 42 1 0 0 0^ 31 11 1 6 0 0^ 32 58 1 0 0 0^ 33 12 1 0 0 0^ 34 3 1 0 0 0^ 25 35 1 6 0 0^ 36 37 1 0 0 0^ 24 37 1 1 0 0^ 38 36 1 0 0 0^ 39 38 1 0 0 0^ 40 34 1 0 0 0^ 41 32 2 0 0 0^ 42 36 2 0 0 0^ 43 2 2 0 0 0^ 6 44 1 6 0 0^ 45 5 2 0 0 0^ 46 4 2 0 0 0^ 47 10 2 0 0 0^ 48 8 2 0 0 0^ 49 7 2 0 0 0^ 50 9 2 0 0 0^ 51 11 2 0 0 0^ 26 52 1 6 0 0^ 53 28 2 0 0 0^ 27 54 1 6 0 0^ 55 33 2 0 0 0^ 56 31 1 0 0 0^ 57 44 1 0 0 0^ 58 83 1 0 0 0^ 59 57 1 0 0 0^ 60 28 1 0 0 0^ 61 32 1 0 0 0^ 62 1 1 0 0 0^ 63 56 1 0 0 0^ 64 52 1 0 0 0^ 65 69 1 0 0 0^ 16 66 1 1 0 0^ 67 64 2 0 0 0^ 68 64 1 0 0 0^ 69 68 2 0 0 0^ 70 67 1 0 0 0^ 71 15 1 0 0 0^ 72 65 1 0 0 0^ 73 66 1 0 0 0^ 74 62 1 0 0 0^ 29 75 1 1 0 0^ 76 34 2 0 0 0^ 77 54 1 0 0 0^ 78 40 2 0 0 0^ 79 59 1 0 0 0^ 80 59 1 0 0 0^ 81 59 1 0 0 0^ 82 60 1 0 0 0^ 83 84 1 0 0 0^ 84 75 1 0 0 0^ 85 77 1 0 0 0^ 86 77 1 0 0 0^ 87 82 1 0 0 0^ 88 76 1 0 0 0^ 89 88 2 0 0 0^ 74 71 1 0 0 0^ 65 70 2 0 0 0^ 17 40 1 0 0 0^ 89 78 1 0 0 0^ 39 30 2 0 0 0^ 33 63 1 0 0 0^M END^^

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