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Cyclo (Phe-Val)

CAT: 0013-GTR19179493Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179493Size:10 mg
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Description
Cyclo (Phe-Val) is a cyclic dipeptide exhibiting cell cycle inhibitory and cytotoxic activity in vitro. It is a research tool for studying cell cycle regulation and apoptosis mechanisms in cancer biology and pharmacology.
CAS Number
14474-71-6
Field of Research
Infectious Disease & Virology
Smiles
O=C1NC (C (=O) NC1CC=2C=CC=CC2) C (C) C
Molecular Formula
C14H18N2O2
Molecular Weight
246.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Benzyl-6-isopropyl-2,5-piperazinedione

3-Benzyl-6-isopropyl-2,5-piperazinedione has been reported in Streptomyces filamentosus, Streptomyces chrestomyceticus, and Coffea arabica with data available.

CAS Number14474-71-6
PubChem CID139766
IUPAC Name3-benzyl-6-propan-2-ylpiperazine-2,5-dione
Molecular FormulaC14H18N2O2
Molecular Weight246.30
XLogP2
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity322
SMILES
CC(C)C1C(=O)NC(C(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O2/c1-9(2)12-14(18)15-11(13(17)16-12)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKey
OQQPOHUVAQPSHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Benzyl-6-isopropyl-2,5-piperazinedione
CAS: 14474-71-6
CID: 139766
Formula: C14H18N2O2
MW: 246.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.30
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass246.136827821
Monoisotopic Mass246.136827821
Topological Polar Surface Area58.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity322
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

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