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Compound Report Overview

Compound Name: NEUROMEDIN C

Compound Identifier: 704495

Mol Structure 2D: 704495

Molecular Weight: 1120

Formula: C50 H73 N17 O11 S

Development Status: Biochemical standard

SMILES: CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc4c[nH]cn4)NC(=O)C(CC(=O)N)NC(=O)CN)C(C)C)C(=O)N

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100222122D 0 0.00000 0.00000 0^^ 79 82 0 1 0 999 V2000^ -1.1083 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0042 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.2708 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9458 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2375 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.1083 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0792 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5958 -0.3417 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.5083 0.1708 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.6625 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.5167 0.1625 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.8375 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3542 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.8250 0.1708 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.0625 0.1708 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.2208 0.3333 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.3833 0.1708 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.2792 0.1625 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.5542 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0625 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9542 0.1625 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.9083 1.1458 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.2667 -0.6375 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.7917 0.3208 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.0375 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.3833 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2375 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9458 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3458 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.6792 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.9125 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2208 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9542 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7833 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4000 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8417 0.1625 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.5500 0.3208 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.7417 -0.4375 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.4250 0.9333 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.6292 0.1625 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.5875 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5875 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7083 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6208 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6458 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5292 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.2708 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.7833 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.9458 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0792 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2375 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.1083 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5542 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.9125 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.7917 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7833 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.4000 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.6208 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.1167 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1917 0.1625 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.5083 -0.1500 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.2792 -0.1542 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.6292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9042 -0.6417 0.0000 S 0 0 0 0 0 0 0 0 0^ -4.1833 0.1708 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.8958 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2125 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0792 0.8083 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.9125 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5458 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5625 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6292 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0042 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5542 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0792 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3542 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.0708 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7458 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 38 1 0 0 0^ 4 10 1 0 0 0^ 5 11 1 0 0 0^ 6 22 1 0 0 0^ 7 18 1 0 0 0^ 8 25 1 0 0 0^ 9 13 1 0 0 0^ 17 10 1 1 0 0^ 18 11 1 6 0 0^ 12 6 1 0 0 0^ 13 1 2 0 0 0^ 14 8 1 0 0 0^ 15 7 1 0 0 0^ 16 4 1 0 0 0^ 17 5 1 0 0 0^ 18 27 1 0 0 0^ 19 2 1 6 0 0^ 20 19 1 0 0 0^ 21 16 1 0 0 0^ 22 31 1 6 0 0^ 23 29 1 0 0 0^ 24 28 1 0 0 0^ 25 12 1 1 0 0^ 26 1 1 0 0 0^ 27 1 1 0 0 0^ 28 34 1 0 0 0^ 29 33 1 0 0 0^ 16 30 1 6 0 0^ 31 36 1 0 0 0^ 32 41 1 0 0 0^ 33 17 1 0 0 0^ 34 22 1 0 0 0^ 35 21 1 0 0 0^ 36 60 1 0 0 0^ 37 20 1 0 0 0^ 38 15 1 1 0 0^ 39 47 1 0 0 0^ 40 46 1 0 0 0^ 41 14 1 6 0 0^ 42 23 2 0 0 0^ 43 24 2 0 0 0^ 44 26 2 0 0 0^ 45 30 1 0 0 0^ 46 29 2 0 0 0^ 47 28 2 0 0 0^ 48 3 2 0 0 0^ 49 4 2 0 0 0^ 50 5 2 0 0 0^ 51 8 2 0 0 0^ 52 6 2 0 0 0^ 53 7 2 0 0 0^ 54 20 2 0 0 0^ 55 32 2 0 0 0^ 56 25 1 0 0 0^ 57 35 2 0 0 0^ 58 36 2 0 0 0^ 59 45 2 0 0 0^ 60 37 1 0 0 0^ 61 32 1 0 0 0^ 62 35 1 0 0 0^ 63 19 1 0 0 0^ 64 41 1 0 0 0^ 65 70 1 0 0 0^ 66 67 1 0 0 0^ 67 45 1 0 0 0^ 68 26 1 0 0 0^ 69 56 1 0 0 0^ 70 64 1 0 0 0^ 71 38 1 0 0 0^ 72 44 1 0 0 0^ 73 65 1 0 0 0^ 74 63 1 0 0 0^ 75 63 1 0 0 0^ 76 69 1 0 0 0^ 77 69 1 0 0 0^ 78 68 2 0 0 0^ 79 78 1 0 0 0^ 44 9 1 0 0 0^ 72 79 2 0 0 0^ 40 42 1 0 0 0^ 39 43 1 0 0 0^M END^^

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