(2S)-2-(dimethylamino)-6-[[(Z)-octadec-9-enoyl]amino]hexanoic acid

Systemtic Name: (2S)-2-(dimethylamino)-6-[[(Z)-octadec-9-enoyl]amino]hexanoic acid Openeye Name: (2S)-2-(dimethylamino)-6-[[(Z)-octadec-9-enoyl]amino]hexanoic acid CAS Name: (2S)-2-(dimethylamino)-6-[[(Z)-1-oxooctadec-9-enyl]amino]hexanoic acid IUPAC Name: (2S)-2-(dimethylamino)-6-[[(Z)-octadec-9-enoyl]amino]hexanoic acid Traditional Name: (2S)-2-(dimethylamino)-6-[[(Z)-octadec-9-enoyl]amino]hexanoic acid Formula: C26H50N2O3 MolecularWeight: 438.6868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCCCC(C(=O)O)N(C)C

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N(C)C

InChI

InChI=1S/C26H50N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(29)27-23-20-19-21-24(26(30)31)28(2)3/h11-12,24H,4-10,13-23H2,1-3H3,(H,27,29)(H,30,31)/b12-11-/t24-/m0/s1