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

Systemtic Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; 2-oxidanylethanoic acid Openeye Name: ethyl (2S)-2-(dodecanoylamino)-3-(1H-imidazol-5-yl)propanoate; 2-hydroxyacetic acid CAS Name: 2-hydroxyacetic 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; 2-hydroxyacetic acid Traditional Name: glycolic acid; (2S)-3-(1H-imidazol-5-yl)-2-(lauroylamino)propionic acid ethyl ester Formula: C22H39N3O6 MolecularWeight: 441.56156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O3.C2H4O3/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;3-1-2(4)5/h15-16,18H,3-14H2,1-2H3,(H,21,22)(H,23,24);3H,1H2,(H,4,5)/t18-;/m0./s1