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Leucyl-phenylalanine

CAT: 0127-BUP16424Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16424Size:10 mg
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CAS Number
3063-05-6
Synonyms
H-LEU-PHE-OH
Purity
=98%
Smiles
C([C@H](NC([C@H](CC(C)C)N)=O)C(O)=O)C1=CC=CC=C1

Chemical Information

Leu-phe

Leu-Phe is a dipeptide formed from L-leucine and L-phenylalanine residues. It has a role as a metabolite. It is functionally related to a L-leucine and a L-phenylalanine. It is a tautomer of a Leu-Phe zwitterion.

CAS Number3063-05-6
PubChem CID6992310
IUPAC Name(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC15H22N2O3
Molecular Weight278.35
XLogP-1.1
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity325
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N
InChI
InChI=1S/C15H22N2O3/c1-10(2)8-12(16)14(18)17-13(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1
InChIKey
KFKWRHQBZQICHA-STQMWFEESA-N
Chemical Structure
2D Structure
2D structure of Leu-phe
CAS: 3063-05-6
CID: 6992310
Formula: C15H22N2O3
MW: 278.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight278.35
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass278.16304257
Monoisotopic Mass278.16304257
Topological Polar Surface Area92.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity325
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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