Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
LIGR84
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Ligand 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; 797035-11-1; beta-Secretase Inhibitor IV; 3-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide; CHEMBL378225; 5HA; N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE; N1-((2S,3R)-4-(Cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide; 1,3-Benzenedicarboxamide,N1-[(1S,2R)-3-(cyclopropylamino)-2-hydroxy-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]-N3-[(1R)-1-phenylethyl]-; Merck-3; BACE Inhibitor C3; 2b8l; Isophthalamide Derivative 24; (2)-Secretase Inhibitor IV; beta -Secretase Inhibitor IV; SCHEMBL4567212; 5-Substituted isophthalamide, 1; BDBM16034; GTPL11713; XGB03511; ZINC14960423; compound 24 [PMID: 17432843]; NCGC00386495-01; HY-10133; hydroxyethylamine (HEA) derived inhibitor 1; CS-0002466; Q27455765; L-000384950; 1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-5-(N-methylmethanesulfonamido)-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide; N-((1S,2R)-1-Benzyl-3-cyclopropylamino-2-hydroxy-propyl)-5-(methanesulfonyl-methyl-amino)-N'-((R)-1-phenyl-ethyl)-isophthalamide; N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide; N-[(1S,2R)-1-Benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-N'-[(R)-1-phenylethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide
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Structure |
Download2D MOL |
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Formula |
C31H38N4O5S
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Canonical SMILES |
CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)NC(CC3=CC=CC=C3)C(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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