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Peptaibolin

CAT: 0931-TN10857-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10857-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
219637-06-6
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Peptaibolin exhibits activity against Gram-positive bacteria and yeast. The minimum inhibitory concentration (MIC) for its effect on Bacillus subtilis [ATCC 6633] and Candida albicans is 100 μg/mL.
Smiles
[C@H](C(NC(C(N[C@@H](CC1=CC=CC=C1)CO)=O)(C)C)=O)(NC(C(NC([C@H](CC(C)C)NC(C)=O)=O)(C)C)=O)CC(C)C
Molecular Formula
C31H51N5O6
Molecular Weight
589.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Peptaibolin

Peptaibolin has been reported in Sepedonium with data available.

CAS Number219637-06-6
PubChem CID85155455
IUPAC Name2-acetamido-N-[1-[[1-[[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-methylpentanamide
Molecular FormulaC31H51N5O6
Molecular Weight589.8
XLogP2.9
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Heavy Atom Count42
Formal Charge0
Complexity927
SMILES
CC(C)CC(C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C
InChI
InChI=1S/C31H51N5O6/c1-19(2)15-24(32-21(5)38)26(39)35-31(8,9)29(42)34-25(16-20(3)4)27(40)36-30(6,7)28(41)33-23(18-37)17-22-13-11-10-12-14-22/h10-14,19-20,23-25,37H,15-18H2,1-9H3,(H,32,38)(H,33,41)(H,34,42)(H,35,39)(H,36,40)
InChIKey
KYTOQCVRVYQYDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Peptaibolin
CAS: 219637-06-6
CID: 85155455
Formula: C31H51N5O6
MW: 589.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight589.8
XLogP32.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Exact Mass589.38393436
Monoisotopic Mass589.38393436
Topological Polar Surface Area166 Ų
Heavy Atom Count42
Formal Charge0
Complexity927
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19255508-01Peptaibolin

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