ethyl 2-azanyl-2-(cyanomethyl)-5-(5-octyl-1H-imidazol-2-yl)-3,4-bis(oxidanyl)pentanoate

Systemtic Name: ethyl 2-azanyl-2-(cyanomethyl)-5-(5-octyl-1H-imidazol-2-yl)-3,4-bis(oxidanyl)pentanoate Openeye Name: ethyl 2-amino-2-(cyanomethyl)-3,4-dihydroxy-5-(5-octyl-1H-imidazol-2-yl)pentanoate CAS Name: 2-amino-2-(cyanomethyl)-3,4-dihydroxy-5-(5-octyl-1H-imidazol-2-yl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-amino-2-(cyanomethyl)-3,4-dihydroxy-5-(5-octyl-1H-imidazol-2-yl)pentanoate Traditional Name: 2-amino-2-(cyanomethyl)-3,4-dihydroxy-5-(5-octyl-1H-imidazol-2-yl)valeric acid ethyl ester Formula: C20H34N4O4 MolecularWeight: 394.50836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N1)CC(C(C(CC#N)(C(=O)OCC)N)O)O

Isomeric SMILES

CCCCCCCCC1=CN=C(N1)CC(C(C(CC#N)(C(=O)OCC)N)O)O

InChI

InChI=1S/C20H34N4O4/c1-3-5-6-7-8-9-10-15-14-23-17(24-15)13-16(25)18(26)20(22,11-12-21)19(27)28-4-2/h14,16,18,25-26H,3-11,13,22H2,1-2H3,(H,23,24)