| CAS Number | 868247-72-7 |
| Catalog Number | AG01ENNZ(AGN-PC-0V8MNQ) |
| Chemical Name | L-Lysine,S-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl]-L-cysteinyl-L-seryl-L-lysyl-L-lysyl-L-lysyl- |
| IUPAC Name | (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-[(2R)-2,3-di(hexadecanoyloxy)propyl]sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid |
| InChI | InChI=1S/C65H126N10O12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-58(77)86-48-51(87-59(78)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2)49-88-50-52(70)60(79)75-57(47-76)64(83)73-54(38-30-34-44-67)62(81)71-53(37-29-33-43-66)61(80)72-55(39-31-35-45-68)63(82)74-56(65(84)85)40-32-36-46-69/h51-57,76H,3-50,66-70H2,1-2H3,(H,71,81)(H,72,80)(H,73,83)(H,74,82)(H,75,79)(H,84,85)/t51-,52+,53+,54+,55+,56+,57+/m1/s1 |
| InChI Key | LJUIOEFZFQRWJG-GHYFRYPYSA-N |
| MDL Number | MFCD22683858 |
| Molecular Formula | C65H126N10O12S |
| Molecular Weight | 1271.8207 |
| SMILES | [C@@H](NC([C@@H](NC([C@@H](NC([C@H](CSC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)N)=O)CO)=O)CCCCN)=O)(C(N[C@H](C(N[C@@H](CCCCN)C(O)=O)=O)CCCCN)=O)CCCCN |
| Synonyms | CHEMBL2179400,
868247-72-7,
BDBM50399457,
AKOS024458268,
UNII-L33ZW7BO91 component LJUIOEFZFQRWJG-GHYFRYPYSA-N,
L-Lysine,S-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl]-L-cysteinyl-L-seryl-L-lysyl-L-lysyl-L-lysyl-,
Pam2CSK4,
LJUIOEFZFQRWJG-GHYFRYPYSA-N,
|
| Complexity | 1810 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1270.927741g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 88 |
| Hydrogen Bond Acceptor Count | 18 |
| Hydrogen Bond Donor Count | 12 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1271.8g/mol |
| Monoisotopic Mass | 1270.927741g/mol |
| Rotatable Bond Count | 65 |
| Topological Polar Surface Area | 411Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number