Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L2X4MJ
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| Ligand Name |
(1R,3AS,4R,8AS,8BR)-4-(2-Benzo[1,3]dioxol-5-ylmethyl-1-ethyl-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-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE; UIP; 1ype; 1y3w; Q27466890; 4-[(3aalpha,3bbeta,7aalpha)-1-Oxo-2-(1,3-benzodioxole-5-ylmethyl)-3alpha-ethyldecahydro-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 |
C26H30N4O3
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| Canonical SMILES |
CCC1C2C3CCCN3C(C2C(=O)N1CC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)C(=N)N
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| InChI |
1S/C26H30N4O3/c1-2-18-22-19-4-3-11-29(19)24(16-6-8-17(9-7-16)25(27)28)23(22)26(31)30(18)13-15-5-10-20-21(12-15)33-14-32-20/h5-10,12,18-19,22-24H,2-4,11,13-14H2,1H3,(H3,27,28)/t18-,19+,22+,23+,24+/m1/s1
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| InChIKey |
RCAUWWFTOCHSJH-KEXZDOINSA-N
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| PubChem Compound ID | ||||
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