1-(3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate

HCID 4599
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Basic information

Standard SMILES
CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O
InChIKey
AHLBNYSZXLDEJQ-UHFFFAOYSA-N
Molecular formula
C29H53NO5
Average molar mass
495.7 g/mol

Overview

See also: Orlistat (annotation moved to).

Names & identifiers

Preferred name
1-(3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate
IUPAC
1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate

Names & synonyms

1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoateRefChem:1054188(S,S,R,R)-OrlistatOrlistat Powder1-[(3-hexyl-4-oxo-oxetan-2-yl)methyl]dodecyl 2-formamido-4-methyl-pentanoate111466-62-7C29H53NO5NCGC00095128-01Orlistat, 5111466-61-6111466-63-8SCHEMBL2473855
Show more names
CHEMBL1434441BDBM24988HMS3393I08HMS3655A13HMS3870N03HMS5079M22(S)-((S)-1-((2S,3S)-3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl) 2-formamido-4-methylpentanoateTHL

Database identifiers

PubChem CID
4599
ChEMBL
CHEMBL1434441

Properties

Computed structural properties

XLogP
10
Topological polar surface area
81.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
23
Heavy atoms
35

Experimental & physicochemical properties

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Related reactions

1 records
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Linked notes

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