(2R)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate

Systemtic Name: (2R)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-4-phenylazanyl-butanoate Openeye Name: (2R)-4-anilino-2-(2-morpholin-4-ium-4-ylethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-anilino-2-[2-(4-morpholin-4-iumyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-anilino-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-anilino-4-keto-2-(2-morpholin-4-ium-4-ylethylammonio)butyrate Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH2+]C(CC(=O)NC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC[NH2+][C@H](CC(=O)NC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H23N3O4/c20-15(18-13-4-2-1-3-5-13)12-14(16(21)22)17-6-7-19-8-10-23-11-9-19/h1-5,14,17H,6-12H2,(H,18,20)(H,21,22)/p+1/t14-/m1/s1