Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LHU6C3
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| Ligand Name |
(1R,3AS,4R,8AS,8BR)-4-{5-(Phenyl[1,3]dioxol-5-ylmethyl)-4-ethyl-2,3,3-trimethyl-6-oxo-octahydro-pyrrolo[3,4-C]pyrrol-1-YL}-benzamidine
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| Synonyms |
(1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE; UIB; 1ypj; 1y3x; Q27466887; 4-[(3abeta,6abeta)-2,3,3-Trimethyl-4beta-ethyl-5-(1,3-benzodioxole-5-ylmethyl)-6-oxooctahydropyrrolo[3,4-c]pyrrole-1alpha-yl]benzamidine
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| Structure |
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Download2D MOL |
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| Formula |
C26H32N4O3
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| Canonical SMILES |
CCC1C2C(C(N(C2(C)C)C)C3=CC=C(C=C3)C(=N)N)C(=O)N1CC4=CC5=C(C=C4)OCO5
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| InChI |
1S/C26H32N4O3/c1-5-18-22-21(25(31)30(18)13-15-6-11-19-20(12-15)33-14-32-19)23(29(4)26(22,2)3)16-7-9-17(10-8-16)24(27)28/h6-12,18,21-23H,5,13-14H2,1-4H3,(H3,27,28)/t18-,21+,22-,23+/m1/s1
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| InChIKey |
HQVPEQYGMUJQHM-MSYGRNIXSA-N
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| PubChem Compound ID | ||||
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