Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6PA7I
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| Ligand Name |
(4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
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| Synonyms |
(4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one; BACE_14; SCHEMBL2530167; BDBM586677; E4A
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| Structure |
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Download2D MOL |
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| Formula |
C35H43N3O4
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| Canonical SMILES |
CC(C)C1=CC(=CC=C1)C2(CC2)NCC(C3CC4=CC(=CC=C4)OCCCCNC5=CC(=CC(=C5)C(=O)C)C(=O)N3)O
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| InChI |
1S/C35H43N3O4/c1-23(2)26-9-7-10-29(19-26)35(12-13-35)37-22-33(40)32-17-25-8-6-11-31(16-25)42-15-5-4-14-36-30-20-27(24(3)39)18-28(21-30)34(41)38-32/h6-11,16,18-21,23,32-33,36-37,40H,4-5,12-15,17,22H2,1-3H3,(H,38,41)/t32-,33+/m0/s1
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| InChIKey |
LUJWXMKDHHFLOK-JHOUSYSJSA-N
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| PubChem Compound ID | ||||
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