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Cyclo(L-Leu-L-Phe)

CAT: 0572-TRC-C989755-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C989755-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7280-77-5
Hazard Statement
No Data Available
Smiles
CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O
Molecular Formula
C15 H20 N2 O2
Molecular Weight
260.332
InChI
InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m1/s1
Additionnal Information
IUPAC name: (3R,6R)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione
Shipping Conditions
Room Temperature

Chemical Information

cyclo(L-leucyl-L-phenylalanyl)

Cyclo(L-phenylalanyl-L-leucyl) is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which one hydrogen at position 3 and one hydrogen at position 6 are replaced by benzyl and isobutyl groups (the 3S,6S-diastereomer). It has a role as a metabolite.

CAS Number7280-77-5
PubChem CID7076347
IUPAC Name(3S,6S)-3-benzyl-6-(2-methylpropyl)piperazine-2,5-dione
Molecular FormulaC15H20N2O2
Molecular Weight260.33
XLogP2.4
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity335
SMILES
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C15H20N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,16,19)(H,17,18)/t12-,13-/m0/s1
InChIKey
QPDMOMIYLJMOQJ-STQMWFEESA-N
Chemical Structure
2D Structure
2D structure of cyclo(L-leucyl-L-phenylalanyl)
CAS: 7280-77-5
CID: 7076347
Formula: C15H20N2O2
MW: 260.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.33
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass260.152477885
Monoisotopic Mass260.152477885
Topological Polar Surface Area58.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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