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Trifluoroacetyl tripeptide-2

CAT: 0931-T80948-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T80948-01Size:5 mg
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CAS Number
64577-63-5
Bioactivity
Trifluoroacetyl tripeptide-2, a bioactive peptide recognized for its anti-aging properties, is utilized as a cosmetic ingredient [1].
Smiles
[C@@H](CC1=CC=C(O)C=C1)(NC([C@@H](NC(C(F)(F)F)=O)[C@@H](C)C)=O)C(N[C@@H]([C@H](C)C)C(O)=O)=O
Molecular Formula
C21H28F3N3O6
Molecular Weight
475.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Trifluoroacetyl tripeptide-2
CAS Number64577-63-5
PubChem CID40785040
IUPAC Name(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
Molecular FormulaC21H28F3N3O6
Molecular Weight475.5
XLogP1.1
Topological Polar Surface Area145
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity706
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)C(F)(F)F
InChI
InChI=1S/C21H28F3N3O6/c1-10(2)15(27-20(33)21(22,23)24)18(30)25-14(9-12-5-7-13(28)8-6-12)17(29)26-16(11(3)4)19(31)32/h5-8,10-11,14-16,28H,9H2,1-4H3,(H,25,30)(H,26,29)(H,27,33)(H,31,32)/t14-,15-,16-/m0/s1
InChIKey
SAVSLMGBKQKUAV-JYJNAYRXSA-N
Chemical Structure
2D Structure
2D structure of Trifluoroacetyl tripeptide-2
CAS: 64577-63-5
CID: 40785040
Formula: C21H28F3N3O6
MW: 475.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.5
XLogP31.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass475.19302011
Monoisotopic Mass475.19302011
Topological Polar Surface Area145 Ų
Heavy Atom Count33
Formal Charge0
Complexity706
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5822603Trifluoroacetyl tripeptide-2
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sc-2232742- (Trifluoroacetyl) pyrrole
PC5101832- (Trifluoroacetyl) thiazole
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230778-012,2,2-Trifluoroacetyl fluoride
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