Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LI51CO
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| Ligand Name |
(10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione
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| Synonyms |
(10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione; BACE_11; SCHEMBL2354066; BDBM586671; E5A
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| Structure |
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Download2D MOL |
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| Formula |
C30H43N3O4
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| Canonical SMILES |
CC1C(=O)NC(CC2=CC(=CC=C2)OCCCCCC(=O)N1C)C(CNCC3=CC(=CC=C3)C(C)C)O
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| InChI |
1S/C30H43N3O4/c1-21(2)25-12-8-11-24(16-25)19-31-20-28(34)27-18-23-10-9-13-26(17-23)37-15-7-5-6-14-29(35)33(4)22(3)30(36)32-27/h8-13,16-17,21-22,27-28,31,34H,5-7,14-15,18-20H2,1-4H3,(H,32,36)/t22-,27-,28+/m0/s1
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| InChIKey |
FUURZWWGPRBEOS-QLCOJLISSA-N
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| PubChem Compound ID | ||||
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