Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L38MKR
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| Ligand Name |
(9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
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| Synonyms |
(9R,11S)-3-ethyl-11-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9-methyl-3,12-diazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione; E5D; BACE_6; SCHEMBL3176737; BDBM586655
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| Structure |
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Download2D MOL |
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| Formula |
C31H45N3O3
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| Canonical SMILES |
CCN1CCCCCC(CC(NC(=O)C2=CC(=CC=C2)C1=O)C(CNCC3=CC(=CC=C3)C(C)C)O)C
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| InChI |
1S/C31H45N3O3/c1-5-34-16-8-6-7-11-23(4)17-28(33-30(36)26-14-10-15-27(19-26)31(34)37)29(35)21-32-20-24-12-9-13-25(18-24)22(2)3/h9-10,12-15,18-19,22-23,28-29,32,35H,5-8,11,16-17,20-21H2,1-4H3,(H,33,36)/t23-,28+,29-/m1/s1
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| InChIKey |
MYMHIVTZLXPTIU-LDVROUIZSA-N
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| PubChem Compound ID | ||||
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