General Information of the Compound
| Compound ID |
CP0058220
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| Compound Name |
(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate
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| Synonyms |
Alli
(-)-Tetrahydrolipstatin
(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate
1-((3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl-2-formamido-4-methylvalerate
96829-58-2
Alli
Alli (TN)
Alli, Xenical, Tetrahydrolipstatin, Orlistat
C29H53NO5
CHEMBL175247
GlaxoSmithKline brand of orlistat
Hoffmann-La Roche brand of orlistat
KS-1183
L-Leucine, N-formyl-, (1S)-1-(((2S,3S)-3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester
L-Leucine,N-formyl-, (1S)-1-(((2S,3S)-3-hexyl-4-oxo-2-oxetanyl)methyl)dodecyl ester
MLS002207022
N-Formyl-L-leucine (1S)-1-[[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]methyl]dodecyl ester
N-Formyl-L-leucine, ester with (3S,4S)-3-hexyl-4-((2S)-2-hydroxytridecyl)-2-oxetanone
Orlipastat
Orlipastatum
Orlipastatum [INN-Latin]
Orlistat
Orlistat (Alli, Xenical)
Orlistat (USAN/INN)
Orlistat [USAN:INN]
R-212
Ro 18-0647/002
Ro 18-0647/008
Ro-18-0647
Roche brand of orlistat
TETRAHYDROLIPSTATIN
THLP
Tetrahydrolipstatin
UNII-95M8R751W8
Xenical
Xenical (TN)
[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate
orlistat
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| Structure |
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| Formula |
C29H53NO5
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| Molecular Weight |
495.745
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| Canonical SMILES |
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
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| InChI |
InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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| InChIKey |
AHLBNYSZXLDEJQ-FWEHEUNISA-N
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| CAS |
111397-16-1
96829-58-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT04933, Diacylglycerol lipase-alpha
Protein ID: PT06149, Diacylglycerol lipase-alpha
Protein ID: PT01303, Endothelial lipase
Protein ID: PT06109, Geminin
Protein ID: PT02459, Hepatic triacylglycerol lipase
Protein ID: PT02150, Lipoprotein lipase
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01504, Pancreatic triacylglycerol lipase
Clinical Information about the Compound