2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]ethanoate Openeye Name: 2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidine-4-carbonyl]amino]acetate CAS Name: 2-[[[1-[(2S)-2-ammonio-1-oxo-3-phenylpropyl]-4-piperidinyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[1-[(2S)-2-azaniumyl-3-phenylpropanoyl]piperidine-4-carbonyl]amino]acetate Traditional Name: 2-[[1-[(2S)-2-ammonio-3-phenyl-propanoyl]isonipecotoyl]amino]acetate Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC(=O)[O-])C(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C1CN(CCC1C(=O)NCC(=O)[O-])C(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C17H23N3O4/c18-14(10-12-4-2-1-3-5-12)17(24)20-8-6-13(7-9-20)16(23)19-11-15(21)22/h1-5,13-14H,6-11,18H2,(H,19,23)(H,21,22)/t14-/m0/s1