Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LDA43C
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| Ligand Name |
(10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one
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| Synonyms |
(10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one; BACE_9; BDBM586659
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| Structure |
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Download2D MOL |
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| Formula |
C32H49N3O3
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| Canonical SMILES |
CC1CCCCCCCNC2=CC(=CC(=C2)C(=O)NC(C1)C(CNCC3=CC(=CC=C3)C(C)C)O)COC
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| InChI |
1S/C32H49N3O3/c1-23(2)27-13-10-12-25(16-27)20-33-21-31(36)30-15-24(3)11-8-6-5-7-9-14-34-29-18-26(22-38-4)17-28(19-29)32(37)35-30/h10,12-13,16-19,23-24,30-31,33-34,36H,5-9,11,14-15,20-22H2,1-4H3,(H,35,37)/t24-,30+,31-/m1/s1
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| InChIKey |
UGCIUWIDOWOQSA-XGJRVREISA-N
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| PubChem Compound ID | ||||
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