| CAS Number | 109570-04-9 |
| Catalog Number | AG008WKZ(AGN-PC-0NX6P4) |
| Chemical Name | (2S)-4-carbamoyl-2-dodecanamidobutanoic acid |
| IUPAC Name | (2S)-5-amino-2-(dodecanoylamino)-5-oxopentanoic acid |
| InChI | InChI=1S/C17H32N2O4/c1-2-3-4-5-6-7-8-9-10-11-16(21)19-14(17(22)23)12-13-15(18)20/h14H,2-13H2,1H3,(H2,18,20)(H,19,21)(H,22,23)/t14-/m0/s1 |
| InChI Key | USMCNVFGYLZLGM-AWEZNQCLSA-N |
| MDL Number | MFCD00216729 |
| Molecular Formula | C17H32N2O4 |
| Molecular Weight | 328.4470 |
| SMILES | CCCCCCCCCCCC(N[C@H](C(O)=O)CCC(N)=O)=O |
| Synonyms | 109570-04-9,
N2-Lauroyl-L-glutamine,
N-lauroyl-L-glutamine,
(2S)-4-carbamoyl-2-dodecanamidobutanoic acid,
N-alpha-Lauroyl-L-glutamine,
N(alpha)-lauroyl-L-glutamine,
Dodecanoylglutamine,
N-Lauroyl-glutamin,
(S)-5-Amino-2-dodecanamido-5-oxopentanoic acid,
N~2~-Dodecanoyl-L-glutamine,
SCHEMBL343576,
N2-(1-Oxododecyl)-L-glutamine,
DTXSID80584156,
USMCNVFGYLZLGM-AWEZNQCLSA-N,
ZINC28539029,
NE35265,
FT-0670747,
EN300-95601,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.453g/mol |
| Monoisotopic Mass | 328.236g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number