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Pyloricidin A2

CAT: 0804-HY-N14097Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N14097Size:1 Each
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Description
Pyloricidin A2 is an antibiotic against Helicobacter pylori found in Bacillus sp. HC-70. Pyloricidin A2 has strong anti-Helicobacter pylori activity. Pyloricidin A2 has no activity against other bacteria and yeast[1].
CAS Number
219823-33-3
UNSPSC
12352005
Target
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](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)=O
Molecular Formula
C32H53N5O10
Molecular Weight
667.79
References & Citations
[1]M Nakao, et al. Pyloricidins, novel anti-helicobacterpylori antibiotics produced by Bacillus sp. I. Taxonomy, fermentation and biological activity. J Antibiot (Tokyo) . 2001 Nov;54 (11) :926-33.
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-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid

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

CAS Number219823-33-3
PubChem CID10417007
IUPAC Name(3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC32H53N5O10
Molecular Weight667.8
XLogP-2.3
Topological Polar Surface Area261
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count47
Formal Charge0
Complexity1020
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](CC(C)C)NC(=O)[C@H](C(C)C)N
InChI
InChI=1S/C32H53N5O10/c1-16(2)12-21(35-29(44)22(13-17(3)4)36-31(46)25(33)18(5)6)30(45)37-23(15-38)26(41)27(42)28(43)32(47)34-20(14-24(39)40)19-10-8-7-9-11-19/h7-11,16-18,20-23,25-28,38,41-43H,12-15,33H2,1-6H3,(H,34,47)(H,35,44)(H,36,46)(H,37,45)(H,39,40)/t20-,21-,22-,23-,25-,26+,27+,28-/m0/s1
InChIKey
OSCGRQUBTJHTHZ-GVWMMKRUSA-N
Chemical Structure
2D Structure
2D structure of (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
CAS: 219823-33-3
CID: 10417007
Formula: C32H53N5O10
MW: 667.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight667.8
XLogP3-2.3
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass667.37924290
Monoisotopic Mass667.37924290
Topological Polar Surface Area261 Ų
Heavy Atom Count47
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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