N(alpha)-Palmitoyl-lysyllysine ethyl ester
Basic information
- CAS
7325-88-4- Standard SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)OCC.Cl.Cl- InChIKey
MVYFTGIBERSYHJ-OKOKNOAKSA-N- Molecular formula
- C30H62Cl2N4O4
- Average molar mass
- 613.7 g/mol
- Monoisotopic mass
- 612.4148119
Overview
RN given refers to di-HCl(L)-isomer
Names & identifiers
- Preferred name
- N(alpha)-Palmitoyl-lysyllysine ethyl ester
- IUPAC
- ethyl (2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoate;dihydrochloride
Names & synonyms
N(alpha)-Palmitoyl-lysyllysine ethyl esterL-Lysine, N(2)-(N(2)-(1-oxohexadecyl)-L-lysyl)-, ethyl ester, dihydrochloride7325-88-4NAPLLRefChem:160836N-alpha-palmitoyl-lysyllysine ethyl esterN-alpha-palmitoyl-L-lysyl-L-lysine ethyl esterNSC 282192N(alpha)-Palmitoyl-lysyllysine ethyl ester dihydrochlorideN(sup 2)-(N(sup 2)-(1-Oxohexadecyl)-L-lysyl)-L-lysine ethyl ester dihydrochlorideL-Lysine, N(sup 2)-(N(sup 2)-(1-oxohexadecyl)-L-lysyl)-, ethyl ester, dihydrochloride
Database identifiers
- CAS
7325-88-4- PubChem CID
- 3036616
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 28
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 589
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Compound notes
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