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

Systemtic Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; icosanoic acid Openeye Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; icosanoic acid CAS Name: eicosanoic 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; icosanoic acid Traditional Name: arachidic acid; (2S)-3-(1H-imidazol-5-yl)-2-(lauroylamino)propionic acid ethyl ester Formula: C40H75N3O5 MolecularWeight: 678.0406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O3.C20H40O2/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h15-16,18H,3-14H2,1-2H3,(H,21,22)(H,23,24);2-19H2,1H3,(H,21,22)/t18-;/m0./s1