Viewing Compound With Structures

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Compound Report Overview

Compound Name: [SAR1, D-PHE8, DES-ARG9]-BRADYKININ
Compound Identifier: 700984
Mol Structure 2D: 700984
Molecular Weight: 819
Formula: C41 H54 N8 O10
Development Status: Biochemical standard
SMILES: CNCC(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC(=O)NC(Cc3ccccc3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(Cc5ccccc5)C(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222252D 0 0.00000 0.00000 0^^ 59 63 0 1 0 999 V2000^ 2.1417 1.4750 0.0000 N 0 0 3 0 0 0 0 0 0^ -0.9583 -0.3750 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.7500 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.4833 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2375 2.2750 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.2542 1.6750 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.7583 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5000 -1.4000 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.5500 -0.5375 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.5917 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0500 -1.7167 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.6500 1.1208 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.3458 -1.3375 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.7000 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6917 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1667 -1.7167 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.8250 -0.9625 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.7583 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6917 -1.4125 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.6917 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2167 0.1458 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.8542 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.0500 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.2875 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5917 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1542 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4500 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1792 2.2750 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1292 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.1458 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1500 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9292 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9458 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8500 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2458 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0333 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1167 3.5208 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.7167 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5125 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8000 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6792 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9083 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1792 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0500 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5958 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2792 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2000 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5875 3.1875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2375 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7125 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1333 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0208 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2792 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8125 -2.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2083 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1083 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8125 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7208 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 4 1 0 0 0^ 3 1 1 0 0 0^ 4 8 1 0 0 0^ 6 5 1 1 0 0^ 6 3 1 0 0 0^ 9 7 1 6 0 0^ 8 11 1 1 0 0^ 9 2 1 0 0 0^ 10 16 1 0 0 0^ 11 10 1 0 0 0^ 12 1 1 0 0 0^ 13 7 1 0 0 0^ 14 5 1 0 0 0^ 12 15 1 6 0 0^ 16 19 1 1 0 0^ 17 13 1 6 0 0^ 18 17 1 0 0 0^ 19 20 1 0 0 0^ 20 32 1 0 0 0^ 21 15 1 0 0 0^ 22 3 2 0 0 0^ 23 4 2 0 0 0^ 24 7 2 0 0 0^ 25 10 2 0 0 0^ 26 16 1 0 0 0^ 27 17 1 0 0 0^ 28 14 2 0 0 0^ 29 15 2 0 0 0^ 30 18 2 0 0 0^ 31 20 2 0 0 0^ 32 21 1 0 0 0^ 33 1 1 0 0 0^ 34 2 1 0 0 0^ 35 5 1 0 0 0^ 36 18 1 0 0 0^ 37 8 1 0 0 0^ 38 42 1 0 0 0^ 39 26 1 0 0 0^ 40 27 1 0 0 0^ 41 6 1 0 0 0^ 42 14 1 0 0 0^ 43 9 1 0 0 0^ 44 12 1 0 0 0^ 45 37 1 0 0 0^ 46 34 1 0 0 0^ 47 33 1 0 0 0^ 48 41 1 0 0 0^ 49 38 1 0 0 0^ 50 39 2 0 0 0^ 51 39 1 0 0 0^ 52 40 1 0 0 0^ 53 40 2 0 0 0^ 54 51 2 0 0 0^ 55 50 1 0 0 0^ 56 52 2 0 0 0^ 57 53 1 0 0 0^ 58 54 1 0 0 0^ 59 57 2 0 0 0^ 47 44 1 0 0 0^ 48 35 1 0 0 0^ 58 55 2 0 0 0^ 46 43 1 0 0 0^ 59 56 1 0 0 0^M END^^
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