Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LI2A6D
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| Ligand Name |
(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
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| Synonyms |
(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one; BACE_16; SCHEMBL4879055; BDBM586683; E4G
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| Structure |
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Download2D MOL |
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| Formula |
C34H42N2O6
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| Canonical SMILES |
CC(C)C1=CC=CC(=C1)CNCC(C2CC3=CC(=CC=C3)OCCCCOC4=CC(=CC(=C4)C(=O)N2)OCC(=O)C)O
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| InChI |
1S/C34H42N2O6/c1-23(2)27-10-6-9-26(14-27)20-35-21-33(38)32-16-25-8-7-11-29(15-25)40-12-4-5-13-41-30-17-28(34(39)36-32)18-31(19-30)42-22-24(3)37/h6-11,14-15,17-19,23,32-33,35,38H,4-5,12-13,16,20-22H2,1-3H3,(H,36,39)/t32-,33+/m0/s1
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| InChIKey |
MKUSLLRHQBCOIB-JHOUSYSJSA-N
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| PubChem Compound ID | ||||
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