Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7MNX2
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| Ligand Name |
(5r,8s,11s)-5-Methyl-8-(Propan-2-Yl)-11-[(1e)-4-Sulfanylbut-1-En-1-Yl]-3,17-Dithia-7,10,14,19,20-Pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-Triene-6,9,13-Trione
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| Synonyms |
CHEMBL3593407; (5r,8s,11s)-5-Methyl-8-(Propan-2-Yl)-11-[(1e)-4-Sulfanylbut-1-En-1-Yl]-3,17-Dithia-7,10,14,19,20-Pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-Triene-6,9,13-Trione; SCHEMBL10314972; BDBM50098416; Q27462298
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| Structure |
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Download2D MOL |
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| Formula |
C21H29N5O3S3
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| Canonical SMILES |
CC(C)C1C(=O)NC(CC(=O)NCC2=NC(=CS2)C3=NC(CS3)(C(=O)N1)C)C=CCCS
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| InChI |
1S/C21H29N5O3S3/c1-12(2)17-18(28)23-13(6-4-5-7-30)8-15(27)22-9-16-24-14(10-31-16)19-26-21(3,11-32-19)20(29)25-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,27)(H,23,28)(H,25,29)/b6-4+/t13-,17+,21+/m1/s1
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| InChIKey |
CPERKRDUKGURNJ-BNVDZZMOSA-N
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| PubChem Compound ID | ||||
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