Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5D9AI
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| Ligand Name |
(4S)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-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)-4-{(S)-hydroxy[(3R,6R)-6-(methoxymethyl)morpholin-3-yl]methyl}-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one; BACE_13; BDBM586674; E5V
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| Structure |
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Download2D MOL |
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| Formula |
C28H39N3O6
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| Canonical SMILES |
COCC1CNC(CO1)C(C2CC3=CC(=CC=C3)OCCCCNC4=CC(=CC(=C4)C(=O)N2)COC)O
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| InChI |
1S/C28H39N3O6/c1-34-16-20-10-21-14-22(11-20)29-8-3-4-9-36-23-7-5-6-19(12-23)13-25(31-28(21)33)27(32)26-18-37-24(15-30-26)17-35-2/h5-7,10-12,14,24-27,29-30,32H,3-4,8-9,13,15-18H2,1-2H3,(H,31,33)/t24-,25+,26-,27+/m1/s1
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| InChIKey |
ZMVXRCDFLHBKCX-RAVGUYNFSA-N
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| PubChem Compound ID | ||||
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