(2S)-2-azanylbutanedioic acid; (2S)-6-azanyl-2-(hexadecanoylamino)hexanoic acid

Systemtic Name: (2S)-2-azanylbutanedioic acid; (2S)-6-azanyl-2-(hexadecanoylamino)hexanoic acid Openeye Name: (2S)-2-aminobutanedioic acid; (2S)-6-amino-2-(hexadecanoylamino)hexanoic acid CAS Name: (2S)-2-aminobutanedioic acid; (2S)-6-amino-2-(1-oxohexadecylamino)hexanoic acid IUPAC Name: (2S)-2-aminobutanedioic acid; (2S)-6-amino-2-(hexadecanoylamino)hexanoic acid Traditional Name: (2S)-6-amino-2-palmitamido-hexanoic acid; (2S)-2-aminosuccinic acid Formula: C26H51N3O7 MolecularWeight: 517.69904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)O.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C22H44N2O3.C4H7NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-20(22(26)27)17-15-16-19-23;5-2(4(8)9)1-3(6)7/h20H,2-19,23H2,1H3,(H,24,25)(H,26,27);2H,1,5H2,(H,6,7)(H,8,9)/t20-;2-/m00/s1