| CAS Number | 536721-25-2 |
| Catalog Number | AG00DDFB(AGN-PC-0OBXDM) |
| Chemical Name | N-(1-Oxohexadecyl)-L-glutamic Acid tert-Butyl Ester |
| IUPAC Name | (4S)-4-(hexadecanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate |
| InChI | InChI=1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)26-21(19-20-23(28)29)24(30)31-25(2,3)4/h21H,5-20H2,1-4H3,(H,26,27)(H,28,29)/p-1/t21-/m0/s1 |
| InChI Key | LXTVAOWDMLOIBO-NRFANRHFSA-M |
| MDL Number | MFCD30489507 |
| Molecular Formula | C25H46NO5 |
| Molecular Weight | 440.6364 |
| SMILES | CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)OC(C)(C)C)CCC(=O)[O-] |
| Synonyms | 536721-25-2,
L-Glutamic acid, N-(1-oxohexadecyl)-, 1-(1,1-dimethylethyl) ester,
CTK1E3727,
DTXSID20850781,
AKOS028112424,
1-{[(2S)-1-tert-Butoxy-4-carboxylato-1-oxobutan-2-yl]amino}-1-oxohexadecane,
N-(1-Oxohexadecyl)-L-glutamic Acid tert-Butyl Ester,
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| Complexity | 493 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 440.338g/mol |
| Formal Charge | -1 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.645g/mol |
| Monoisotopic Mass | 440.338g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number