Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B98GOX
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| Binder Name |
N-[(1S,2R)-1-Benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide
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| Synonyms |
BACE-1 INHIBITOR; CHEMBL378225; beta-Secretase Inhibitor IV; Merck-3; Isophthalamide Derivative 24; SCHEMBL4567212; 5-Substituted isophthalamide, 1; BDBM16034; ZINC14960423; NCGC00386495-01; hydroxyethylamine (HEA) derived inhibitor 1; Q27455765; L-000384950
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C31H38N4O5S
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| Canonical SMILES |
C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNC4CC4)O
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| InChI |
1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
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| InChIKey |
VPNIQGRFZCTBEZ-SPTGULJVSA-N
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| PubChem Compound ID | ||||
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