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Palmitoyl Tetrapeptide-3

CAT: 0127-BUP17239-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17239-01Size:100 mg
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CAS Number
221227-05-0
Synonyms
Rigin
Purity
≥98%
Smiles
CCCCCCCCCCCCCCCC (=O) NCC (=O) N[C@@H] (CCC (N) =O) C (=O) N1CCC[C@H]1C (=O) N[C@@H] (CCCNC (N) =N) C (O) =O

Chemical Information

Palmitoyl Tetrapeptide-7

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CAS Number221227-05-0
PubChem CID10078408
IUPAC Name(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[2-(hexadecanoylamino)acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC34H62N8O7
Molecular Weight694.9
XLogP3.6
Topological Polar Surface Area252
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count28
Heavy Atom Count49
Formal Charge0
Complexity1070
SMILES
CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C34H62N8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(44)39-24-30(45)40-25(20-21-28(35)43)32(47)42-23-16-18-27(42)31(46)41-26(33(48)49)17-15-22-38-34(36)37/h25-27H,2-24H2,1H3,(H2,35,43)(H,39,44)(H,40,45)(H,41,46)(H,48,49)(H4,36,37,38)/t25-,26-,27-/m0/s1
InChIKey
IHRKJQSLKLYWBQ-QKDODKLFSA-N
Chemical Structure
2D Structure
2D structure of Palmitoyl Tetrapeptide-7
CAS: 221227-05-0
CID: 10078408
Formula: C34H62N8O7
MW: 694.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight694.9
XLogP33.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count28
Exact Mass694.47414635
Monoisotopic Mass694.47414635
Topological Polar Surface Area252 Ų
Heavy Atom Count49
Formal Charge0
Complexity1070
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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