94787-52-7 Purity
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The molecular formula is C28H55NO4.
The PubChem CID is 90477746.
The IUPAC name is (3S)-4-dodecan-4-yloxy-3-(dodecylamino)-4-oxobutanoic acid.
The InChI is InChI=1S/C28H55NO4/c1-4-7-9-11-13-14-15-16-18-20-23-29-26(24-27(30)31)28(32)33-25(21-6-3)22-19-17-12-10-8-5-2/h25-26,29H,4-24H2,1-3H3,(H,30,31)/t25?,26-/m0/s1.
The InChIKey is SOMAYYFAESXLCM-AMVUTOCUSA-N.
The Canonical SMILES is CCCCCCCCCCCCNC(CC(=O)O)C(=O)OC(CCC)CCCCCCCC.
The molecular weight is 469.7 g/mol.
The XLogP3-AA value is 7.8.
It has 2 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
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