(2S)-3-phenyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpiperidin-4-yl]carbonylamino]propanoate

Systemtic Name: (2S)-3-phenyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-yl]carbonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: (2S)-3-phenyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carbonyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[1-[oxo-[(2S)-2-pyrrolidin-1-iumyl]methyl]-4-piperidinyl]methyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-3-phenyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]piperidine-4-carbonyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[1-[(2S)-pyrrolidin-1-ium-2-carbonyl]isonipecotoyl]amino]propionate Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)N2CCC(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)N2CCC(CC2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H27N3O4/c24-18(22-17(20(26)27)13-14-5-2-1-3-6-14)15-8-11-23(12-9-15)19(25)16-7-4-10-21-16/h1-3,5-6,15-17,21H,4,7-13H2,(H,22,24)(H,26,27)/t16-,17-/m0/s1