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Epopromycin A

CAT: 0013-GTR19256206-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256206-02Size:10 mg
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Description
Epopromycin A inhibits the cell wall synthesis of lettuce protoplasts, demonstrating herbicidal activity. In B16 melanoma cells, Epopromycin A exhibits cytotoxicity with an IC50 of 0.003 μg/mL.
CAS Number
153540-55-7
Field of Research
Infectious Disease & Virology
Smiles
O=C (NC (C (=O) NC (C (=O) C1 (OC1) CO) CC (=C) C) CO) CCCCCC (C) C
Molecular Formula
C21H36N2O6
Molecular Weight
412.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Epopromycin A

Epopromycin A is a beta-hydroxy ketone.

CAS Number153540-55-7
PubChem CID11795956
IUPAC NameN-[(2S)-3-hydroxy-1-[[(2S)-1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]amino]-1-oxopropan-2-yl]-7-methyloctanamide
Molecular FormulaC21H36N2O6
Molecular Weight412.5
XLogP1.8
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count29
Formal Charge0
Complexity592
SMILES
CC(C)CCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=C)C)C(=O)C1(CO1)CO
InChI
InChI=1S/C21H36N2O6/c1-14(2)8-6-5-7-9-18(26)22-17(11-24)20(28)23-16(10-15(3)4)19(27)21(12-25)13-29-21/h14,16-17,24-25H,3,5-13H2,1-2,4H3,(H,22,26)(H,23,28)/t16-,17-,21?/m0/s1
InChIKey
XMRSQXUAYNXWEE-MVWJYJSVSA-N
Chemical Structure
2D Structure
2D structure of Epopromycin A
CAS: 153540-55-7
CID: 11795956
Formula: C21H36N2O6
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass412.25733687
Monoisotopic Mass412.25733687
Topological Polar Surface Area128 Ų
Heavy Atom Count29
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN10129-01Epopromycin A
TN10539-01Epopromycin B

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