Lipstatin

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

Also Known As: Lipstatin|AN-743|[(2S,4E,7E)-1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl] (2S)-2-formamido-3-methylpentanoate|(2S-(2alpha(1R*,3Z,6Z),3beta))-N-Formyl-L-leucine 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)-3,6-dodecadienyl ester|[(1S,3E,6E)-1-[(3-hexyl-4-oxo-oxetan-2-yl)methyl]dodeca-3,6-dienyl] (2S)-2-formamido-3-methyl-pentanoate|L-Leucine, N-formyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)-3,6-dodecadienyl ester, (2S-(2alpha(1R*,3Z,6Z),3beta))-

Molecular Formula	C29H49NO5
Molecular Weight	491.36108 g/mol
LogP	6.4339
Topological Polar Surface Area	81.7 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	21
Exact Mass	491.36108
Monoisotopic Mass	491.36108
Heavy Atoms	35
Complexity	659.4576

Chemical Identifiers

CAS Number	96829-59-3
SMILES	CCCCCCC1C(OC1=O)C[C@H](C/C=C/C/C=C/CCCCC)OC(=O)[C@H](C(C)CC)NC=O