Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4HV1B
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| Ligand Name |
(5S,8S,10R)-8-[(1R)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione
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| Synonyms |
(5S,8S,10R)-8-[(1R)-2-{[1-(3-tert-butylphenyl)cyclopropyl]amino}-1-hydroxyethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione; BACE_4; SCHEMBL4174750; BDBM586652; E6Y
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| Structure |
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Download2D MOL |
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| Formula |
C31H51N3O4
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| Canonical SMILES |
CC1CCCCCCOCC(=O)N(C(C(=O)NC(C1)C(CNC2(CC2)C3=CC(=CC=C3)C(C)(C)C)O)C)C
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| InChI |
1S/C31H51N3O4/c1-22-12-9-7-8-10-17-38-21-28(36)34(6)23(2)29(37)33-26(18-22)27(35)20-32-31(15-16-31)25-14-11-13-24(19-25)30(3,4)5/h11,13-14,19,22-23,26-27,32,35H,7-10,12,15-18,20-21H2,1-6H3,(H,33,37)/t22-,23+,26+,27-/m1/s1
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| InChIKey |
DTTFGMDFRQRNPI-GXVHRJHYSA-N
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| PubChem Compound ID | ||||
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