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Pyloricidin A1

CAT: 0931-TN11333-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11333-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
219823-32-2
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Pyloricidin A1 is an antibiotic effective against Helicobacter pylori produced by Bacillus sp. HC-70. It exhibits strong anti-Helicobacter pylori activity and shows no activity against other bacteria and yeast.
Smiles
[C@H](NC([C@H]([C@@H]([C@@H]([C@@H](NC([C@@H](NC([C@@H](NC([C@H](C(C)C)N)=O)[C@H](CC)C)=O)CC(C)C)=O)CO)O)O)O)=O)(CC(O)=O)C1=CC=CC=C1
Molecular Formula
C32H53N5O10
Molecular Weight
667.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

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

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

CAS Number219823-32-2
PubChem CID10100945
IUPAC Name(3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-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@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)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/C32H53N5O10/c1-7-18(6)25(37-30(45)24(33)17(4)5)31(46)35-21(13-16(2)3)29(44)36-22(15-38)26(41)27(42)28(43)32(47)34-20(14-23(39)40)19-11-9-8-10-12-19/h8-12,16-18,20-22,24-28,38,41-43H,7,13-15,33H2,1-6H3,(H,34,47)(H,35,46)(H,36,44)(H,37,45)(H,39,40)/t18-,20-,21-,22-,24-,25-,26+,27+,28-/m0/s1
InChIKey
GCTBIAPBXCZZKV-XMIRCNHCSA-N
Chemical Structure
2D Structure
2D structure of (3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
CAS: 219823-32-2
CID: 10100945
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 Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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