methyl (2S)-3-phenyl-2-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[[(2S)-pyrrolidin-1-ium-2-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]propionic acid methyl ester Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCC[NH2+]2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCC[NH2+]2

InChI

InChI=1S/C15H20N2O3/c1-20-15(19)13(10-11-6-3-2-4-7-11)17-14(18)12-8-5-9-16-12/h2-4,6-7,12-13,16H,5,8-10H2,1H3,(H,17,18)/p+1/t12-,13-/m0/s1