Molecule

Lipohexin

AlkaPlorer ID: AK061307

Synonym: None

IUPAC Name: 3-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[(2S)-1-(2-methyl-3-oxotetradecanoyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid

Structure

SMILES: CCCCCCCCCCCC(=O)C(C)C(=O)N1CCC[C@H]1C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=NCCC(=O)O

InChI: InChI=1S/C39H68N6O9/c1-11-12-13-14-15-16-17-18-19-22-28(46)26(2)31(50)45-25-20-21-27(45)30(49)41-37(5,6)33(52)43-39(9,10)35(54)44-38(7,8)34(53)42-36(3,4)32(51)40-24-23-29(47)48/h26-27H,11-25H2,1-10H3,(H,40,51)(H,41,49)(H,42,53)(H,43,52)(H,44,54)(H,47,48)/t26?,27-/m0/s1

InChIKey: PMRLBLJJGVOETQ-GEVKEYJPSA-N

Reference

Lipohexin, a New Inhibitor of Prolyl Endopeptidase from Moeszia lindtneri (HKI-0054) and Paecilomyces sp. (HKI-0055; HKI-0096). I. Screening, Isolation and Structure Elucidation.

PubChem CID: 9987717

LOTUS: LTS0211512

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NPAtlas: NPA004435

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Paecilomyces sp.	Paecilomyces	Thermoascaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 765.006

TPSA？: 237.63

MolLogP？: 7.4751000000000065

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi