Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6G4UH
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| Ligand Name |
(4S)-4-[(1R)-1-hydroxy-2-[(3-propan-2-ylphenyl)methylamino]ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.16,10]henicosa-1(20),6,8,10(21),16,18-hexaen-2-one
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| Synonyms |
BACE_12; SCHEMBL4872901; BDBM586672
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| Structure |
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Download2D MOL |
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| Formula |
C31H40N4O3
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| Canonical SMILES |
CC(C)C1=CC=CC(=C1)CNCC(C2CC3=CC=CC(=C3)CCCCNC4=NC(=CC(=C4)C(=O)N2)OC)O
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| InChI |
1S/C31H40N4O3/c1-21(2)25-12-7-11-24(15-25)19-32-20-28(36)27-16-23-10-6-9-22(14-23)8-4-5-13-33-29-17-26(31(37)34-27)18-30(35-29)38-3/h6-7,9-12,14-15,17-18,21,27-28,32,36H,4-5,8,13,16,19-20H2,1-3H3,(H,33,35)(H,34,37)/t27-,28+/m0/s1
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| InChIKey |
LKVVVVQQVFSHRO-WUFINQPMSA-N
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| PubChem Compound ID | ||||
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