Viewing Compound With Structures

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Compound Report Overview

Compound Name: MONTIRELIN TETRAHYDRATE
Compound Identifier: 706084
Mol Structure 2D: 706084
Molecular Weight: 380
Formula: C16 H24 N6 O3 S
Development Status: Preclinical
SMILES: CC1SCC(NC(Cc2cnc[nH]2)C(=O)N3CCCC3C(=O)N)NC1=O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223182D 0 0.00000 0.00000 0^^ 26 28 0 1 0 999 V2000^ 5.8750 -3.8917 0.0000 N 0 0 3 0 0 0 0 0 0^ 5.2125 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.4000 -4.3167 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.6917 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.5167 -3.9167 0.0000 C 0 0 1 0 0 0 0 0 0^ 6.5917 -3.8917 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.0750 -3.9167 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.4000 -2.7292 0.0000 S 0 0 0 0 0 0 0 0 0^ 7.2542 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.2875 -0.6917 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.7792 -4.3167 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.5167 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.2250 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.8917 -1.8750 0.0000 N 0 0 0 0 0 0 0 0 0^ 6.5167 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6917 -3.0875 0.0000 C 0 0 2 0 0 0 0 0 0^ 5.4792 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.2125 -5.0375 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.0125 -4.2750 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.2542 -5.0375 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0750 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.9250 -3.8917 0.0000 N 0 0 0 0 0 0 0 0 0^ 5.6292 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.8500 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.2292 -2.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0125 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 7 1 0 0 0^ 4 3 1 0 0 0^ 5 2 1 0 0 0^ 6 1 1 0 0 0^ 7 11 1 6 0 0^ 8 21 1 0 0 0^ 6 9 1 1 0 0^ 10 17 1 0 0 0^ 11 5 1 0 0 0^ 5 12 1 1 0 0^ 13 12 1 0 0 0^ 14 13 1 0 0 0^ 15 14 1 0 0 0^ 16 8 1 0 0 0^ 17 13 2 0 0 0^ 18 2 2 0 0 0^ 19 4 2 0 0 0^ 20 9 2 0 0 0^ 21 7 1 0 0 0^ 22 9 1 0 0 0^ 23 1 1 0 0 0^ 24 6 1 0 0 0^ 25 23 1 0 0 0^ 16 26 1 1 0 0^ 25 24 1 0 0 0^ 15 10 2 0 0 0^ 16 4 1 0 0 0^M END^^
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