ethyl 2-azanyl-2-[2-(methylamino)-2-oxidanylidene-ethyl]-5-(2-nonyl-1H-imidazol-5-yl)-3-oxidanyl-pentanoate

Systemtic Name: ethyl 2-azanyl-2-[2-(methylamino)-2-oxidanylidene-ethyl]-5-(2-nonyl-1H-imidazol-5-yl)-3-oxidanyl-pentanoate Openeye Name: ethyl 2-amino-3-hydroxy-2-[2-(methylamino)-2-oxo-ethyl]-5-(2-nonyl-1H-imidazol-5-yl)pentanoate CAS Name: 2-amino-3-hydroxy-2-[2-(methylamino)-2-oxoethyl]-5-(2-nonyl-1H-imidazol-5-yl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-hydroxy-2-[2-(methylamino)-2-oxoethyl]-5-(2-nonyl-1H-imidazol-5-yl)pentanoate Traditional Name: 2-amino-3-hydroxy-2-[2-keto-2-(methylamino)ethyl]-5-(2-nonyl-1H-imidazol-5-yl)valeric acid ethyl ester Formula: C22H40N4O4 MolecularWeight: 424.5774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC=C(N1)CCC(C(CC(=O)NC)(C(=O)OCC)N)O

Isomeric SMILES

CCCCCCCCCC1=NC=C(N1)CCC(C(CC(=O)NC)(C(=O)OCC)N)O

InChI

InChI=1S/C22H40N4O4/c1-4-6-7-8-9-10-11-12-19-25-16-17(26-19)13-14-18(27)22(23,15-20(28)24-3)21(29)30-5-2/h16,18,27H,4-15,23H2,1-3H3,(H,24,28)(H,25,26)