(2S)-1-[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[1-[(2S)-2-ammonio-1-oxo-3-phenylpropyl]-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[1-[(2S)-2-azaniumyl-3-phenylpropanoyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[1-[(2S)-2-ammonio-3-phenyl-propanoyl]isonipecotoyl]pyrrolidine-2-carboxylate Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)C(=O)C(CC3=CC=CC=C3)[NH3+])C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)[NH3+])C(=O)[O-]

InChI

InChI=1S/C20H27N3O4/c21-16(13-14-5-2-1-3-6-14)19(25)22-11-8-15(9-12-22)18(24)23-10-4-7-17(23)20(26)27/h1-3,5-6,15-17H,4,7-13,21H2,(H,26,27)/t16-,17-/m0/s1