Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LFSH32
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| Ligand Name |
(9R,11S)-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1R)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
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| Synonyms |
(9R,11S)-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-16-(1,3-oxazol-2-yl)-3-[(1R)-1-phenylethyl]-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione; BACE_7; BDBM586657; E5P
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| Structure |
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Download2D MOL |
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| Formula |
C40H50N4O4
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| Canonical SMILES |
CC1CCCCCN(C(=O)C2=CC(=CC(=C2)C(=O)NC(C1)C(CNCC3=CC(=CC=C3)C(C)C)O)C4=NC=CO4)C(C)C5=CC=CC=C5
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| InChI |
1S/C40H50N4O4/c1-27(2)32-16-11-13-30(21-32)25-41-26-37(45)36-20-28(3)12-7-6-10-18-44(29(4)31-14-8-5-9-15-31)40(47)35-23-33(38(46)43-36)22-34(24-35)39-42-17-19-48-39/h5,8-9,11,13-17,19,21-24,27-29,36-37,41,45H,6-7,10,12,18,20,25-26H2,1-4H3,(H,43,46)/t28-,29-,36+,37-/m1/s1
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| InChIKey |
WTVYZBOJEASHJM-PMKGPLEQSA-N
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| PubChem Compound ID | ||||
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