ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; 6-oxidanylhexanoic acid

Systemtic Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; 6-oxidanylhexanoic acid Openeye Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; 6-hydroxyhexanoic acid CAS Name: 6-hydroxyhexanoic acid; (2S)-3-(1H-imidazol-5-yl)-2-(1-oxododecylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; 6-hydroxyhexanoic acid Traditional Name: 6-hydroxyhexanoic acid; (2S)-3-(1H-imidazol-5-yl)-2-(lauroylamino)propionic acid ethyl ester Formula: C26H47N3O6 MolecularWeight: 497.66788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CN=CN1)C(=O)OCC.C(CCC(=O)O)CCO

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)OCC.C(CCC(=O)O)CCO

InChI

InChI=1S/C20H35N3O3.C6H12O3/c1-3-5-6-7-8-9-10-11-12-13-19(24)23-18(20(25)26-4-2)14-17-15-21-16-22-17;7-5-3-1-2-4-6(8)9/h15-16,18H,3-14H2,1-2H3,(H,21,22)(H,23,24);7H,1-5H2,(H,8,9)/t18-;/m0./s1