Viewing Compound With Structures

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Compound Report Overview

Compound Name: EBIRATIDE
Compound Identifier: 705544
Mol Structure 2D: 705544
Molecular Weight: 996
Formula: C48 H73 N11 O10 S
Development Status: Preclinical
SMILES: CS(=O)(=O)CCC(N)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCCN)C(=O)NC(Cc3ccccc3)C(=O)NCCCCCCCCN
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222542D 0 0.00000 0.00000 0^^ 76 78 0 1 0 999 V2000^ -3.8625 -0.1125 0.0000 S 0 0 3 0 0 0 0 0 0^ -0.3083 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0000 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3708 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7292 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.3708 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8375 1.3833 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.2542 0.3625 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.6250 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.8583 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.9042 -0.1375 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.5708 0.9125 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.1375 2.0875 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.6250 0.7708 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.0667 -1.5875 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.5042 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3833 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6333 0.9208 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.1708 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9708 2.2333 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.3292 -0.4542 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.4958 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8750 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6958 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.0333 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0500 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8875 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5833 -0.0542 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.5958 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.4917 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2167 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.6333 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.6625 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.3833 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7000 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7917 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5042 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.3833 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.0708 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9542 -1.5917 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.5333 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7708 -0.5375 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.6833 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.3458 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2000 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2792 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2958 -0.4375 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.2542 1.9958 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.0125 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.8542 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2833 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9375 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6000 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2792 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1250 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5250 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2917 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2042 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8917 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9792 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1875 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6292 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5375 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7667 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0875 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6167 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4292 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2667 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1667 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0208 0.6583 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.1542 0.9750 0.0000 H 0 0 0 0 0 0 0 0 0^ -1.3500 0.4833 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.6542 -0.0542 0.0000 H 0 0 0 0 0 0 0 0 0^ -2.1000 -0.2542 0.0000 H 0 0 0 0 0 0 0 0 0^ 2.3292 -1.1417 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 12 1 0 0 0^ 3 14 1 0 0 0^ 4 18 1 0 0 0^ 5 21 1 0 0 0^ 6 28 1 0 0 0^ 7 4 1 0 0 0^ 8 2 1 0 0 0^ 9 5 1 0 0 0^ 10 6 1 0 0 0^ 11 3 1 0 0 0^ 12 7 1 0 0 0^ 13 17 1 0 0 0^ 14 8 1 0 0 0^ 15 9 1 0 0 0^ 16 15 1 0 0 0^ 17 19 1 0 0 0^ 18 10 1 0 0 0^ 12 19 1 6 0 0^ 20 27 1 0 0 0^ 21 11 1 0 0 0^ 22 13 2 0 0 0^ 23 41 1 0 0 0^ 24 1 2 0 0 0^ 25 1 2 0 0 0^ 26 34 1 0 0 0^ 27 17 2 0 0 0^ 28 26 1 6 0 0^ 29 2 2 0 0 0^ 30 3 2 0 0 0^ 31 5 2 0 0 0^ 32 4 2 0 0 0^ 33 6 2 0 0 0^ 34 1 1 0 0 0^ 14 35 1 6 0 0^ 15 36 1 1 0 0^ 37 16 2 0 0 0^ 38 23 2 0 0 0^ 18 39 1 6 0 0^ 40 16 1 0 0 0^ 41 39 1 0 0 0^ 42 28 1 0 0 0^ 43 23 1 0 0 0^ 44 1 1 0 0 0^ 45 35 1 0 0 0^ 46 36 1 0 0 0^ 47 52 1 0 0 0^ 48 51 1 0 0 0^ 21 49 1 1 0 0^ 50 40 1 0 0 0^ 51 60 1 0 0 0^ 52 59 1 0 0 0^ 53 46 2 0 0 0^ 54 45 2 0 0 0^ 55 45 1 0 0 0^ 56 46 1 0 0 0^ 57 49 1 0 0 0^ 58 50 1 0 0 0^ 59 57 1 0 0 0^ 60 61 1 0 0 0^ 61 64 1 0 0 0^ 62 58 1 0 0 0^ 63 62 1 0 0 0^ 64 63 1 0 0 0^ 65 55 2 0 0 0^ 66 54 1 0 0 0^ 67 56 2 0 0 0^ 68 53 1 0 0 0^ 69 67 1 0 0 0^ 70 65 1 0 0 0^ 12 71 1 6 0 0^ 14 72 1 6 0 0^ 18 73 1 6 0 0^ 21 74 1 1 0 0^ 28 75 1 6 0 0^ 15 76 1 1 0 0^ 22 20 1 0 0 0^ 70 66 2 0 0 0^ 69 68 2 0 0 0^M END^^
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