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Pyloricidin B

CAT: 0804-HY-N14098Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N14098Size:1 Each
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Description
Pyloricidin B is an antibiotic against Helicobacter pylori. Pyloricidin B has strong anti-Helicobacter pylori activity. Pyloricidin B has no activity against other bacteria and yeast[1].
CAS Number
219823-29-7
UNSPSC
12352005
Target
Antibiotic; Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
CC(C)[C@H](N)C(N[C@@H](CC(C)C)C(N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)C(N[C@H](C1=CC=CC=C1)CC(O)=O)=O)=O)=O
Molecular Formula
C26H42N4O9
Molecular Weight
554.63
References & Citations
[1]Atsushi Hasuoka, et al. Synthesis and anti-Helicobacter pylori activity of pyloricidin derivatives II. The combination of amino acid residues in the dipeptidic moiety and its effect on the anti-Helicobacter pylori activity. J Antibiot (Tokyo) . 2002 May;55 (5) :499-507.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid

(3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid has been reported in Bacillus with data available.

CAS Number219823-29-7
PubChem CID10099184
IUPAC Name(3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC26H42N4O9
Molecular Weight554.6
XLogP-3.3
Topological Polar Surface Area232
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Heavy Atom Count39
Formal Charge0
Complexity804
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CO)[C@H]([C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C1=CC=CC=C1)O)O)O)NC(=O)[C@H](C(C)C)N
InChI
InChI=1S/C26H42N4O9/c1-13(2)10-17(29-25(38)20(27)14(3)4)24(37)30-18(12-31)21(34)22(35)23(36)26(39)28-16(11-19(32)33)15-8-6-5-7-9-15/h5-9,13-14,16-18,20-23,31,34-36H,10-12,27H2,1-4H3,(H,28,39)(H,29,38)(H,30,37)(H,32,33)/t16-,17-,18-,20-,21+,22+,23-/m0/s1
InChIKey
RQPIUFLNFUDVAY-SGIWWYSESA-N
Chemical Structure
2D Structure
2D structure of (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
CAS: 219823-29-7
CID: 10099184
Formula: C26H42N4O9
MW: 554.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.6
XLogP3-3.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count10
Rotatable Bond Count16
Exact Mass554.29517893
Monoisotopic Mass554.29517893
Topological Polar Surface Area232 Ų
Heavy Atom Count39
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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