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Lipohexin

CAT: 0013-GTR19255863-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255863-02Size:50 mg
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Description
Lipohexin is a peptide antibiotic that exhibits activity against Gram-positive bacteria. It competitively inhibits human placental proline endopeptidase (proline endopeptidase) with an IC50 of 3.5 μM. Additionally, Lipohexin inhibits proline endopeptidase from Flavobacterium meningosepticum, with an IC50 of 25 μM.
CAS Number
193751-58-5
Field of Research
Infectious Disease & Virology, Metabolism Research, Protein Biochemistry
Smiles
C (NC (C (NC (C (NC (C (NC (C (NCCC (O) =O) =O) (C) C) =O) (C) C) =O) (C) C) =O) (C) C) (=O) [C@H]1N (C (C (C (CCCCCCCCCCC) =O) C) =O) CCC1
Molecular Formula
C39H68N6O9
Molecular Weight
764.992
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lipohexin

Lipohexin is a peptide.

CAS Number193751-58-5
PubChem CID9987717
IUPAC Name3-[[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
Molecular FormulaC39H68N6O9
Molecular Weight765.0
XLogP4.4
Topological Polar Surface Area220
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count24
Heavy Atom Count54
Formal Charge0
Complexity1360
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
Chemical Structure
2D Structure
2D structure of Lipohexin
CAS: 193751-58-5
CID: 9987717
Formula: C39H68N6O9
MW: 765.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight765.0
XLogP34.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count24
Exact Mass764.50477777
Monoisotopic Mass764.50477777
Topological Polar Surface Area220 Ų
Heavy Atom Count54
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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