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Amicoumacin A

CAT: 0013-GTR19201102-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201102-01Size:50 mg
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Description
Amicoumacin A is a small molecule exhibiting both antibacterial and potent anti-inflammatory properties. It has demonstrated efficacy in reducing ulcer activity in experimental models, making it a valuable research tool for studying infectious diseases and gastrointestinal inflammation.
CAS Number
78654-44-1
Field of Research
Infectious Disease & Virology
Smiles
O=C1C=2C (C[C@@] ([C@@H] (NC ([C@H] ([C@H] ([C@H] (CC (N) =O) N) O) O) =O) CC (C) C) (O1) [H]) =CC=CC2O
Molecular Formula
C20H29N3O7
Molecular Weight
423.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]hexanediamide

4-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]hexanediamide has been reported in Bacillus pumilus with data available.

CAS Number78654-44-1
PubChem CID166506
IUPAC Name4-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]hexanediamide
Molecular FormulaC20H29N3O7
Molecular Weight423.5
XLogP-0.1
Topological Polar Surface Area185
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity630
SMILES
CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C(CC(=O)N)N)O)O
InChI
InChI=1S/C20H29N3O7/c1-9(2)6-12(23-19(28)18(27)17(26)11(21)8-15(22)25)14-7-10-4-3-5-13(24)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,24,26-27H,6-8,21H2,1-2H3,(H2,22,25)(H,23,28)
InChIKey
DCPWYLSPIAHJFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-amino-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]hexanediamide
CAS: 78654-44-1
CID: 166506
Formula: C20H29N3O7
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP3-0.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass423.20055027
Monoisotopic Mass423.20055027
Topological Polar Surface Area185 Ų
Heavy Atom Count30
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T23725-01Amicoumacin A
AR-A06138-01Amicoumacin C
AR-A06137-01Amicoumacin B
T23725L-01Amicoumacin A FA

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