2-(3-azanylpropanoylamino)-3-(1-octadecanoylimidazol-4-yl)propanoic acid

Systemtic Name: 2-(3-azanylpropanoylamino)-3-(1-octadecanoylimidazol-4-yl)propanoic acid Openeye Name: 2-(3-aminopropanoylamino)-3-(1-octadecanoylimidazol-4-yl)propanoic acid CAS Name: 2-[(3-amino-1-oxopropyl)amino]-3-[1-(1-oxooctadecyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-(3-aminopropanoylamino)-3-(1-octadecanoylimidazol-4-yl)propanoic acid Traditional Name: 2-(3-aminopropanoylamino)-3-(1-stearoylimidazol-4-yl)propionic acid Formula: C27H48N4O4 MolecularWeight: 492.69442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1C=C(N=C1)CC(C(=O)O)NC(=O)CCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1C=C(N=C1)CC(C(=O)O)NC(=O)CCN

InChI

InChI=1S/C27H48N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(33)31-21-23(29-22-31)20-24(27(34)35)30-25(32)18-19-28/h21-22,24H,2-20,28H2,1H3,(H,30,32)(H,34,35)