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Chemical structure of Lipstatin

GC76316

Lipstatin

Also known as [(2S,4E,7E)-1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl] (2S)-2-formamido-3-methylpentanoate

Lipstatin is a pancreatic lipase inhibitor (IC50=0·14 μM), whose structure is closely related to the known inhibitor, Esterastin

ChemicalCAS96829-59-3MW491.7FormulaC29H49NO5
CAS number
96829-59-3
Molecular weight
491.7
Formula
C29H49NO5
Solubility
DMSO: 200 mg/mL (406·75 mM; Need ultrasonic)
InChIKey
JRUFOFIHYXDKPU-FMPAGVTOSA-N
Catalogue number
GC76316
Brand
GLPBIO
Computed properties PubChem CID 6438672 · XLogP 8.7 · TPSA 81.7 Ų · H-bond donors 1
XLogP
8.7
TPSA
81.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
21
Heavy atoms
35

SMILES CCCCCCC1C(OC1=O)C[C@H](C/C=C/C/C=C/CCCCC)OC(=O)[C@H](C(C)CC)NC=O

Computed descriptors from PubChem (CID 6438672), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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