(2S)-2-azanyl-6-[3-(2-oxidanyloctadecan-3-yloxy)propylamino]hexanoic acid hydrochloride

Systemtic Name: (2S)-2-azanyl-6-[3-(2-oxidanyloctadecan-3-yloxy)propylamino]hexanoic acid hydrochloride Openeye Name: (2S)-2-amino-6-[3-[1-(1-hydroxyethyl)hexadecoxy]propylamino]hexanoic acid hydrochloride CAS Name: (2S)-2-amino-6-[3-(2-hydroxyoctadecan-3-yloxy)propylamino]hexanoic acid hydrochloride IUPAC Name: (2S)-2-amino-6-[3-(2-hydroxyoctadecan-3-yloxy)propylamino]hexanoic acid hydrochloride Traditional Name: (2S)-2-amino-6-[3-[1-(1-hydroxyethyl)hexadecoxy]propylamino]hexanoic acid hydrochloride Formula: C27H57ClN2O4 MolecularWeight: 509.20548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)O)OCCCNCCCCC(C(=O)O)N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H56N2O4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26(24(2)30)33-23-18-22-29-21-17-16-19-25(28)27(31)32;/h24-26,29-30H,3-23,28H2,1-2H3,(H,31,32);1H/t24?,25-,26?;/m0./s1