Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7XS4K
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| Ligand Name |
(1R,3AS,4R,8AS,8BR)-4-(2-Benzo[1,3]dioxol-5-YL-1-cyclopropyl-3-oxo-decahydro-pyrrolo[3,4-A]pyrrolizin-4-YL)-benzamidine
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| Synonyms |
(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE; UIR; 1ypg; 1y3v; Q27466892; 4-[(3aalpha,3bbeta,7aalpha)-1-Oxo-2-(1,3-benzodioxole-5-ylmethyl)-3alpha-cyclopropyldecahydro-2,6a-diaza-6aH-cyclopenta[a]pentalene-7beta-yl]benzamidine
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| Structure |
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Download2D MOL |
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| Formula |
C27H30N4O3
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| Canonical SMILES |
C1CC2C3C(C(N2C1)C4=CC=C(C=C4)C(=N)N)C(=O)N(C3C5CC5)CC6=CC7=C(C=C6)OCO7
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| InChI |
1S/C27H30N4O3/c28-26(29)18-8-6-17(7-9-18)25-23-22(19-2-1-11-30(19)25)24(16-4-5-16)31(27(23)32)13-15-3-10-20-21(12-15)34-14-33-20/h3,6-10,12,16,19,22-25H,1-2,4-5,11,13-14H2,(H3,28,29)/t19-,22-,23-,24+,25-/m0/s1
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| InChIKey |
XYMBMAVAMICSMV-FTSNLURZSA-N
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| PubChem Compound ID | ||||
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