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Palmitoyl Hexapeptide-6

CAT: 1330-891498-01-4Size: EachDry Ice: NoHazardous: No
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CAS Number
891498-01-4

Chemical Information

Palmitoyl hexapeptide-14
CAS Number891498-01-4
PubChem CID169450589
IUPAC NameN-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexadecanamide
Molecular FormulaC52H92N8O7
Molecular Weight941.3
XLogP10.2
Topological Polar Surface Area244
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count38
Heavy Atom Count67
Formal Charge0
Complexity1440
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N
InChI
InChI=1S/C52H92N8O7/c1-9-10-11-12-13-14-15-16-17-18-19-20-24-30-46(61)56-45(35-40-27-22-21-23-28-40)50(65)55-39(8)48(63)59-43(33-37(4)5)52(67)60-44(34-38(6)7)51(66)57-41(29-25-26-31-53)49(64)58-42(47(54)62)32-36(2)3/h21-23,27-28,36-39,41-45H,9-20,24-26,29-35,53H2,1-8H3,(H2,54,62)(H,55,65)(H,56,61)(H,57,66)(H,58,64)(H,59,63)(H,60,67)/t39-,41-,42-,43-,44-,45-/m0/s1
InChIKey
QOJFGLKMGVFTQV-AGPWLXQASA-N
Chemical Structure
2D Structure
2D structure of Palmitoyl hexapeptide-14
CAS: 891498-01-4
CID: 169450589
Formula: C52H92N8O7
MW: 941.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight941.3
XLogP310.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count38
Exact Mass940.70889730
Monoisotopic Mass940.70889730
Topological Polar Surface Area244 Ų
Heavy Atom Count67
Formal Charge0
Complexity1440
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes