3-(2-azanylpropanoyl)-1-ethoxycarbonyl-1-methyl-2-oxidanylidene-4-(3-phenylpropyl)imidazolidin-1-ium-4-carboxylic acid

Systemtic Name: 3-(2-azanylpropanoyl)-1-ethoxycarbonyl-1-methyl-2-oxidanylidene-4-(3-phenylpropyl)imidazolidin-1-ium-4-carboxylic acid Openeye Name: 3-(2-aminopropanoyl)-1-ethoxycarbonyl-1-methyl-2-oxo-4-(3-phenylpropyl)imidazolidin-1-ium-4-carboxylic acid CAS Name: 3-(2-amino-1-oxopropyl)-1-ethoxycarbonyl-1-methyl-2-oxo-4-(3-phenylpropyl)-4-imidazolidin-1-iumcarboxylic acid IUPAC Name: 3-(2-aminopropanoyl)-1-ethoxycarbonyl-1-methyl-2-oxo-4-(3-phenylpropyl)imidazolidin-1-ium-4-carboxylic acid Traditional Name: 3-alanyl-1-carbethoxy-2-keto-1-methyl-4-(3-phenylpropyl)imidazolidin-1-ium-4-carboxylic acid Formula: C20H28N3O6+ MolecularWeight: 406.45282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CC(N(C1=O)C(=O)C(C)N)(CCCC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)[N+]1(CC(N(C1=O)C(=O)C(C)N)(CCCC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C20H27N3O6/c1-4-29-19(28)23(3)13-20(17(25)26,22(18(23)27)16(24)14(2)21)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14H,4,8,11-13,21H2,1-3H3/p+1