Viewing Compound With Structures

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Compound Report Overview

Compound Name: LITORIN
Compound Identifier: 704539
Mol Structure 2D: 704539
Molecular Weight: 1085
Formula: C51 H68 N14 O11 S
Development Status: Biochemical standard
SMILES: CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc2c[nH]cn2)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CCC(=O)N)NC(=O)C5CCC(=O)N5)C(C)C)C(=O)N
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222142D 0 0.00000 0.00000 0^^ 77 81 0 1 0 999 V2000^ -1.5583 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3208 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.6250 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1542 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5458 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0792 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4083 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.0000 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.4708 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9833 0.4833 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.4625 -0.0292 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.1625 -0.2750 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.2583 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0958 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.3917 -0.1917 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.2458 -0.0792 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.8583 -0.0917 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.0083 -0.0667 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.3000 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8417 -0.0292 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.1792 0.8583 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.7792 -0.2042 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.7083 -0.1125 0.0000 C 0 0 1 0 0 0 0 0 0^ -4.0000 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4750 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8625 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1417 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5375 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.0125 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7833 -0.2792 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.8375 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.2167 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6042 -0.0542 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.9333 -0.2542 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.7125 0.6250 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.7000 -0.0125 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.5250 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1125 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4625 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4792 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6333 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0792 0.3250 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.1625 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.5458 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.4083 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.4833 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.7792 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3000 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.0167 -0.5417 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.3000 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.2167 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.7833 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.4833 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7833 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9167 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3167 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.6458 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0083 0.2833 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.4708 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1583 -1.3542 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.6917 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0917 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0000 0.8708 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.6750 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0000 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9333 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.9500 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3042 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.3208 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2875 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1000 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4000 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5125 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1583 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7125 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4042 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7167 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 34 1 0 0 0^ 4 20 1 0 0 0^ 5 17 1 0 0 0^ 6 22 1 0 0 0^ 7 14 1 0 0 0^ 23 8 1 6 0 0^ 9 12 1 0 0 0^ 10 13 1 0 0 0^ 11 4 1 0 0 0^ 17 12 1 1 0 0^ 13 1 2 0 0 0^ 30 14 1 6 0 0^ 15 6 1 0 0 0^ 16 5 1 0 0 0^ 17 26 1 0 0 0^ 18 2 1 1 0 0^ 19 18 1 0 0 0^ 20 28 1 1 0 0^ 21 27 1 0 0 0^ 22 11 1 6 0 0^ 23 7 1 0 0 0^ 24 8 1 0 0 0^ 25 1 1 0 0 0^ 26 1 1 0 0 0^ 27 31 1 0 0 0^ 28 32 1 0 0 0^ 29 36 1 0 0 0^ 30 9 1 0 0 0^ 31 20 1 0 0 0^ 32 55 1 0 0 0^ 33 19 1 0 0 0^ 34 16 1 6 0 0^ 35 40 1 0 0 0^ 36 15 1 1 0 0^ 37 21 2 0 0 0^ 38 25 2 0 0 0^ 39 59 1 0 0 0^ 40 27 2 0 0 0^ 41 3 2 0 0 0^ 42 6 2 0 0 0^ 43 4 2 0 0 0^ 44 5 2 0 0 0^ 45 7 2 0 0 0^ 46 9 2 0 0 0^ 47 22 1 0 0 0^ 48 19 2 0 0 0^ 49 29 2 0 0 0^ 50 24 2 0 0 0^ 51 32 2 0 0 0^ 52 39 2 0 0 0^ 53 23 1 0 0 0^ 54 30 1 0 0 0^ 55 33 1 0 0 0^ 56 29 1 0 0 0^ 57 53 1 0 0 0^ 58 18 1 0 0 0^ 59 54 1 0 0 0^ 60 39 1 0 0 0^ 61 36 1 0 0 0^ 62 47 1 0 0 0^ 63 65 1 0 0 0^ 64 25 1 0 0 0^ 65 61 1 0 0 0^ 66 34 1 0 0 0^ 67 38 1 0 0 0^ 68 63 1 0 0 0^ 69 58 1 0 0 0^ 70 58 1 0 0 0^ 71 62 2 0 0 0^ 72 62 1 0 0 0^ 73 64 2 0 0 0^ 74 73 1 0 0 0^ 75 72 2 0 0 0^ 76 71 1 0 0 0^ 77 75 1 0 0 0^ 10 38 1 0 0 0^ 74 67 2 0 0 0^ 57 24 1 0 0 0^ 37 35 1 0 0 0^ 77 76 2 0 0 0^M END^^
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