(2S)-4-methyl-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethanoyl]amino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethanoyl]amino]pentanoate Openeye Name: (2S)-4-methyl-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-acetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[(2R)-1-oxo-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylacetyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-acetyl]amino]valerate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C(C1=CC=CC=C1)[NH+]2CCCC2

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@@H](C1=CC=CC=C1)[NH+]2CCCC2

InChI

InChI=1S/C18H26N2O3/c1-13(2)12-15(18(22)23)19-17(21)16(20-10-6-7-11-20)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3,(H,19,21)(H,22,23)/t15-,16+/m0/s1