(2S)-5-azanyl-2-[[(2R)-2-azanylpropanoyl]-octadecyl-amino]-5-oxidanylidene-pentanoic acid hydrochloride

Systemtic Name: (2S)-5-azanyl-2-[[(2R)-2-azanylpropanoyl]-octadecyl-amino]-5-oxidanylidene-pentanoic acid hydrochloride Openeye Name: (2S)-5-amino-2-[[(2R)-2-aminopropanoyl]-octadecyl-amino]-5-oxo-pentanoic acid hydrochloride CAS Name: (2S)-5-amino-2-[[(2R)-2-amino-1-oxopropyl]-octadecylamino]-5-oxopentanoic acid hydrochloride IUPAC Name: (2S)-5-amino-2-[[(2R)-2-aminopropanoyl]-octadecylamino]-5-oxopentanoic acid hydrochloride Traditional Name: (2S)-5-amino-2-[[(2R)-2-aminopropanoyl]-stearyl-amino]-5-keto-valeric acid hydrochloride Formula: C26H52ClN3O4 MolecularWeight: 506.16178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CCC(=O)N)C(=O)O)C(=O)C(C)N.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN([C@@H](CCC(=O)N)C(=O)O)C(=O)[C@@H](C)N.Cl

InChI

InChI=1S/C26H51N3O4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29(25(31)22(2)27)23(26(32)33)19-20-24(28)30;/h22-23H,3-21,27H2,1-2H3,(H2,28,30)(H,32,33);1H/t22-,23+;/m1./s1