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Compound Report Overview

Compound Name: SUBSTANCE P

Compound Identifier: 700835

Mol Structure 2D: 700835

Molecular Weight: 1348

Formula: C63 H98 N18 O13 S

Development Status: Biochemical standard

SMILES: CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc2ccccc2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O)C(N)CCCNC(=N)N)C(=O)N

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100222222D 0 0.00000 0.00000 0^^ 95 98 0 1 0 999 V2000^ -1.9583 -0.1292 0.0000 N 0 0 3 0 0 0 0 0 0^ -3.5208 -0.1292 0.0000 N 0 0 3 0 0 0 0 0 0^ -2.2208 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7833 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0083 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4458 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.7083 -0.2792 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.2708 -0.2792 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.9042 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2750 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1167 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6625 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.7458 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.1833 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.3792 -0.3000 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.1667 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.3958 -0.1375 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.5292 -0.3167 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.7000 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6500 -0.1500 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.4833 -0.1250 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.4375 -0.3042 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.0042 -0.3167 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.5208 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0542 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7417 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.9208 -0.1375 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.1333 -0.2917 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.4792 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9542 -0.3042 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.7917 -0.1667 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.1167 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6583 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2500 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0^ -2.2250 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.7833 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.4458 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0083 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.9042 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2750 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.6625 -0.5917 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.1250 0.1583 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.6500 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4292 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7000 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.0458 -0.1292 0.0000 C 0 0 1 0 0 0 0 0 0^ 4.0542 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4792 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9125 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.1458 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.9208 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1333 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5208 0.7833 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.2167 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7833 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.3167 -0.1792 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.5208 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9583 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1167 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6583 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3792 -1.2125 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.3833 0.7708 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.8000 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3083 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.9167 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6917 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0625 0.5708 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.9583 1.0833 0.0000 N 0 0 0 0 0 0 0 0 0^ -3.0833 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5208 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2208 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6583 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4833 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2667 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.0625 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7833 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.0458 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9583 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3292 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6917 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9542 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1750 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9167 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2208 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7833 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2208 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.2667 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2167 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1792 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4375 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.9542 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4417 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2167 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 8 2 1 1 0 0^ 3 1 1 0 0 0^ 4 2 1 0 0 0^ 5 13 1 0 0 0^ 6 7 1 0 0 0^ 7 1 1 1 0 0^ 8 5 1 0 0 0^ 9 20 1 0 0 0^ 10 23 1 0 0 0^ 11 28 1 0 0 0^ 12 27 1 0 0 0^ 21 13 1 1 0 0^ 14 6 1 0 0 0^ 15 11 1 0 0 0^ 16 9 1 0 0 0^ 17 12 1 0 0 0^ 18 10 1 0 0 0^ 19 22 1 0 0 0^ 20 15 1 1 0 0^ 21 3 1 0 0 0^ 22 16 1 6 0 0^ 23 26 1 6 0 0^ 24 54 1 0 0 0^ 25 31 1 0 0 0^ 26 29 1 0 0 0^ 27 14 1 1 0 0^ 28 17 1 6 0 0^ 29 55 1 0 0 0^ 30 19 1 0 0 0^ 31 18 1 1 0 0^ 32 60 1 0 0 0^ 33 61 1 0 0 0^ 34 24 2 0 0 0^ 35 3 2 0 0 0^ 36 4 2 0 0 0^ 37 6 2 0 0 0^ 38 5 2 0 0 0^ 39 9 2 0 0 0^ 40 10 2 0 0 0^ 41 12 2 0 0 0^ 42 11 2 0 0 0^ 43 20 1 0 0 0^ 44 22 1 0 0 0^ 45 19 2 0 0 0^ 46 4 1 0 0 0^ 47 25 2 0 0 0^ 48 23 1 0 0 0^ 49 29 2 0 0 0^ 50 33 2 0 0 0^ 51 32 2 0 0 0^ 52 27 1 0 0 0^ 53 28 1 0 0 0^ 54 77 1 0 0 0^ 55 30 1 0 0 0^ 56 24 1 0 0 0^ 57 25 1 0 0 0^ 58 2 1 0 0 0^ 59 1 1 0 0 0^ 60 53 1 0 0 0^ 61 52 1 0 0 0^ 62 32 1 0 0 0^ 63 33 1 0 0 0^ 64 31 1 0 0 0^ 46 65 1 1 0 0^ 66 43 1 0 0 0^ 67 44 1 0 0 0^ 68 76 1 0 0 0^ 69 79 1 0 0 0^ 70 8 1 0 0 0^ 71 7 1 0 0 0^ 72 70 1 0 0 0^ 73 59 1 0 0 0^ 74 21 1 0 0 0^ 75 48 1 0 0 0^ 76 64 1 0 0 0^ 77 86 1 0 0 0^ 78 46 1 0 0 0^ 79 87 1 0 0 0^ 80 68 1 0 0 0^ 81 67 2 0 0 0^ 82 67 1 0 0 0^ 83 66 1 0 0 0^ 84 66 2 0 0 0^ 85 74 1 0 0 0^ 86 78 1 0 0 0^ 87 85 1 0 0 0^ 88 75 1 0 0 0^ 89 75 1 0 0 0^ 90 82 2 0 0 0^ 91 84 1 0 0 0^ 92 83 2 0 0 0^ 93 81 1 0 0 0^ 94 91 2 0 0 0^ 95 90 1 0 0 0^ 73 71 1 0 0 0^ 72 58 1 0 0 0^ 94 92 1 0 0 0^ 95 93 2 0 0 0^M END^^

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