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Palmitoyl tripeptide-8

CAT: 0931-T81561-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T81561-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
936544-53-5
Bioactivity
Palmitoyl tripeptide-8, a bioactive peptide known for its anti-allergen properties, is reported to be used as a cosmetic ingredient [1].
Smiles
[C@H](CC1=CC=CC=C1)(NC([C@H](CC2=CN=CN2)NC(CCCCCCCCCCCCCCC)=O)=O)C(N[C@@H](CCCNC(=N)N)C(N)=O)=O
Molecular Formula
C37H61N9O4
Molecular Weight
695.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Palmitoyl Tripeptide-8
CAS Number936544-53-5
PubChem CID11498521
IUPAC NameN-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]hexadecanamide
Molecular FormulaC37H61N9O4
Molecular Weight695.9
XLogP5.9
Topological Polar Surface Area223
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count28
Heavy Atom Count50
Formal Charge0
Complexity1000
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N
InChI
InChI=1S/C37H61N9O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-33(47)44-32(25-29-26-41-27-43-29)36(50)46-31(24-28-19-15-14-16-20-28)35(49)45-30(34(38)48)21-18-23-42-37(39)40/h14-16,19-20,26-27,30-32H,2-13,17-18,21-25H2,1H3,(H2,38,48)(H,41,43)(H,44,47)(H,45,49)(H,46,50)(H4,39,40,42)/t30-,31+,32-/m0/s1
InChIKey
WBHUVOTYPRYBNG-QAXCHELISA-N
Chemical Structure
2D Structure
2D structure of Palmitoyl Tripeptide-8
CAS: 936544-53-5
CID: 11498521
Formula: C37H61N9O4
MW: 695.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight695.9
XLogP35.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count28
Exact Mass695.48465146
Monoisotopic Mass695.48465146
Topological Polar Surface Area223 Ų
Heavy Atom Count50
Formal Charge0
Complexity1000
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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