(2R)-1-[(2S)-2-[ethyl(2-hydroxyethyl)azaniumyl]-2-phenyl-ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[(2S)-2-[ethyl(2-hydroxyethyl)azaniumyl]-2-phenyl-ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2S)-2-[ethyl(2-hydroxyethyl)ammonio]-2-phenyl-acetyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2S)-2-[ethyl(2-hydroxyethyl)ammonio]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2S)-2-[ethyl(2-hydroxyethyl)azaniumyl]-2-phenylacetyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-2-[ethyl(2-hydroxyethyl)ammonio]-2-phenyl-acetyl]pyrrolidine-2-carboxylate Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCO)C(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC[NH+](CCO)[C@@H](C1=CC=CC=C1)C(=O)N2CCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C17H24N2O4/c1-2-18(11-12-20)15(13-7-4-3-5-8-13)16(21)19-10-6-9-14(19)17(22)23/h3-5,7-8,14-15,20H,2,6,9-12H2,1H3,(H,22,23)/t14-,15+/m1/s1