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Compound Report Overview

Compound Name: ATRIOPEPTIN II, RAT

Compound Identifier: 704326

Mol Structure 2D: 704326

Molecular Weight: 2387

Formula: C98 H156 N34 O32 S2

Development Status: Biochemical standard

SMILES: CCC(C)C1NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)CNC1=O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(Cc3ccccc3)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(N)CO)C(C)CC

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100222042D 0 0.00000 0.00000 0^^166168 0 1 0 999 V2000^ 1.6042 -2.5375 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.1292 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.1167 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5667 1.2833 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.3792 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.4625 -2.5625 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.7208 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8375 0.5500 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.8792 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.1375 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3500 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6292 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5750 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1000 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7583 1.3833 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.9708 -2.5667 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.7625 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3042 1.4250 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.8667 -2.6875 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.5000 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.6292 -2.5375 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.4833 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0458 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0542 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0292 1.2625 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.2500 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2833 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3792 -1.2000 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.8208 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3792 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2208 -2.7167 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.3625 -0.0167 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.8375 -2.6917 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.9458 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5167 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0000 -2.5667 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.5375 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.7458 -2.7167 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.7958 2.2458 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.2083 -2.7042 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.0208 1.8208 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.3083 2.2375 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.0208 2.1125 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.7667 1.4000 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.8000 1.4208 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.6292 -0.7542 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.6958 -2.7042 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.2542 1.3958 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.0750 2.0833 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.8875 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7708 2.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8292 0.8458 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.5625 2.0875 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.5917 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8625 3.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1042 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8792 -1.8000 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.2458 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2792 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3667 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5792 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0917 -2.5417 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.1042 0.1208 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.0667 -2.5542 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.1833 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5833 2.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5083 -2.5667 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.7833 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1417 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7208 -2.1167 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.0083 0.9333 0.0000 S 0 0 0 0 0 0 0 0 0^ -3.3333 2.2250 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.3292 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1208 3.5583 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.8542 -1.2000 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.1042 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.1167 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.7208 -3.0125 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3542 -2.9792 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.3917 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3750 -2.1000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3167 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.3542 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.5083 1.8250 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.4833 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.0458 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.2000 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2500 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.8250 2.5333 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.2958 2.5500 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0542 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.1167 -0.7625 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5167 0.9583 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9500 -2.2625 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.5583 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0083 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9708 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7625 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6250 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0000 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5417 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5833 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4375 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5792 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.2500 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.2792 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.1167 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.1833 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.5208 2.7125 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.4000 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.3250 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5917 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0875 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3667 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.5917 -1.6500 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.8583 3.1125 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.3375 -1.2042 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.8542 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.6000 3.5583 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.8667 -2.9792 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.6375 -1.3417 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.7625 -2.7167 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.0333 2.7083 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.0792 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3250 1.7458 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.8458 2.2208 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.1417 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3000 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9458 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8125 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7458 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8000 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5083 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0417 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.4833 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.0583 2.6833 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.2500 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6250 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5042 1.8458 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.0875 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8500 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3375 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5958 2.9625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.3625 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3375 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8917 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1250 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6417 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6042 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9458 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6875 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0708 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8083 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6167 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3417 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5958 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2542 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5042 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1292 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1542 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6833 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4333 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3208 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0625 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4333 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3208 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 10 1 0 0 0^ 3 19 1 0 0 0^ 4 13 1 0 0 0^ 5 3 1 0 0 0^ 40 6 1 6 0 0^ 7 6 1 0 0 0^ 8 14 1 0 0 0^ 9 12 1 0 0 0^ 10 57 1 0 0 0^ 11 1 1 0 0 0^ 12 21 1 0 0 0^ 13 52 1 0 0 0^ 14 63 1 0 0 0^ 15 96 1 0 0 0^ 16 7 1 0 0 0^ 17 15 1 0 0 0^ 18 4 1 6 0 0^ 19 1 1 6 0 0^ 15 20 1 1 0 0^ 21 5 1 6 0 0^ 22 31 1 0 0 0^ 23 39 1 0 0 0^ 24 18 1 0 0 0^ 44 25 1 6 0 0^ 26 36 1 0 0 0^ 27 43 1 0 0 0^ 28 2 1 6 0 0^ 29 53 1 0 0 0^ 30 28 1 0 0 0^ 16 31 1 1 0 0^ 32 60 1 0 0 0^ 62 33 1 1 0 0^ 34 47 1 0 0 0^ 35 48 1 0 0 0^ 38 36 1 6 0 0^ 37 27 1 0 0 0^ 38 22 1 0 0 0^ 39 37 1 6 0 0^ 40 34 1 0 0 0^ 41 17 1 0 0 0^ 42 23 1 0 0 0^ 43 41 1 6 0 0^ 44 35 1 0 0 0^ 45 24 1 0 0 0^ 46 30 1 0 0 0^ 47103 1 0 0 0^ 48100 1 0 0 0^ 49 29 1 0 0 0^ 50 21 1 0 0 0^ 51 43 1 0 0 0^ 52 8 1 6 0 0^ 53 42 1 1 0 0^ 54115 1 0 0 0^ 55116 1 0 0 0^ 56114 1 0 0 0^ 57 9 1 1 0 0^ 58 20 1 0 0 0^ 59101 1 0 0 0^ 60 99 1 0 0 0^ 61 33 1 0 0 0^ 62 11 1 0 0 0^ 63 32 1 1 0 0^ 64111 1 0 0 0^ 65 64 1 0 0 0^ 66 72 1 0 0 0^ 67 26 1 0 0 0^ 68 51 1 0 0 0^ 69 50 1 0 0 0^ 70 97 1 0 0 0^ 71 70 1 0 0 0^ 72 49 1 6 0 0^ 73124 1 0 0 0^ 74 55 2 0 0 0^ 75 54 2 0 0 0^ 76 56 2 0 0 0^ 77 3 2 0 0 0^ 78 7 2 0 0 0^ 79 11 2 0 0 0^ 80 10 2 0 0 0^ 81 12 2 0 0 0^ 82 13 2 0 0 0^ 83 14 2 0 0 0^ 84 17 2 0 0 0^ 85 22 2 0 0 0^ 86 23 2 0 0 0^ 87 40 1 0 0 0^ 88 26 2 0 0 0^ 89 29 2 0 0 0^ 90 27 2 0 0 0^ 91 24 2 0 0 0^ 92 30 2 0 0 0^ 93 35 2 0 0 0^ 94 34 2 0 0 0^ 95 53 1 0 0 0^ 96 71 1 0 0 0^ 97 16 1 0 0 0^ 98 44 1 0 0 0^ 99 46 1 0 0 0^100 58 1 0 0 0^101 45 1 0 0 0^102 66 2 0 0 0^103 65 1 0 0 0^104 61 2 0 0 0^105 58 2 0 0 0^106 59 2 0 0 0^107 60 2 0 0 0^108 65 2 0 0 0^109 68 2 0 0 0^110 69 2 0 0 0^111 61 1 0 0 0^112 73 2 0 0 0^113 52 1 0 0 0^114144 1 0 0 0^115145 1 0 0 0^116143 1 0 0 0^117 54 1 0 0 0^118 56 1 0 0 0^119 55 1 0 0 0^120 19 1 0 0 0^121 28 1 0 0 0^ 67122 1 1 0 0^123 68 1 0 0 0^124113 1 0 0 0^125 73 1 0 0 0^126 66 1 0 0 0^127 69 1 0 0 0^128 18 1 0 0 0^129 87 1 0 0 0^130 95 1 0 0 0^131 38 1 0 0 0^132 39 1 0 0 0^133 67 1 0 0 0^134128 1 0 0 0^135131 1 0 0 0^136132 1 0 0 0^137133 1 0 0 0^138 57 1 0 0 0^139 98 1 0 0 0^140 62 1 0 0 0^141 63 1 0 0 0^142 72 1 0 0 0^143156 1 0 0 0^144154 1 0 0 0^145155 1 0 0 0^146121 1 0 0 0^147120 1 0 0 0^121148 1 6 0 0^120149 1 6 0 0^150129 2 0 0 0^151129 1 0 0 0^152130 1 0 0 0^153130 2 0 0 0^154138 1 0 0 0^155140 1 0 0 0^156142 1 0 0 0^157139 1 0 0 0^158139 1 0 0 0^159147 1 0 0 0^160146 1 0 0 0^161150 1 0 0 0^162151 2 0 0 0^163152 2 0 0 0^164153 1 0 0 0^165162 1 0 0 0^166164 2 0 0 0^161165 2 0 0 0^ 25 59 1 0 0 0^163166 1 0 0 0^M END^^

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