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AN-7

CAT: 0013-GTR19191992-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191992-01Size:1 mg
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Description
AN-7
CAS Number
691410-93-2
Field of Research
Metabolism Research
Smiles
C (CCCC (NCCCNC (CCCCC1CCSS1) =O) =O) C2CCSS2
Molecular Formula
C19H34N2O2S4
Molecular Weight
450.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(dithiolan-3-yl)-N-[3-[5-(dithiolan-3-yl)pentanoylamino]propyl]pentanamide
CAS Number691410-93-2
PubChem CID10433927
IUPAC Name5-(dithiolan-3-yl)-N-[3-[5-(dithiolan-3-yl)pentanoylamino]propyl]pentanamide
Molecular FormulaC19H34N2O2S4
Molecular Weight450.8
XLogP3
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count27
Formal Charge0
Complexity402
SMILES
C1CSSC1CCCCC(=O)NCCCNC(=O)CCCCC2CCSS2
InChI
InChI=1S/C19H34N2O2S4/c22-18(8-3-1-6-16-10-14-24-26-16)20-12-5-13-21-19(23)9-4-2-7-17-11-15-25-27-17/h16-17H,1-15H2,(H,20,22)(H,21,23)
InChIKey
QGUXZRFEKWOQQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(dithiolan-3-yl)-N-[3-[5-(dithiolan-3-yl)pentanoylamino]propyl]pentanamide
CAS: 691410-93-2
CID: 10433927
Formula: C19H34N2O2S4
MW: 450.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight450.8
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass450.15031303
Monoisotopic Mass450.15031303
Topological Polar Surface Area159 Ų
Heavy Atom Count27
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes