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

Systemtic Name: (2S)-1-[1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[1-[(2S)-2-ammonio-3-(1H-indol-3-yl)-1-oxopropyl]-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[1-[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]piperidine-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[1-[(2S)-2-ammonio-3-(1H-indol-3-yl)propanoyl]isonipecotoyl]pyrrolidine-2-carboxylate Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)C(=O)C(CC3=CNC4=CC=CC=C43)[NH3+])C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2CCN(CC2)C(=O)[C@H](CC3=CNC4=CC=CC=C43)[NH3+])C(=O)[O-]

InChI

InChI=1S/C22H28N4O4/c23-17(12-15-13-24-18-5-2-1-4-16(15)18)21(28)25-10-7-14(8-11-25)20(27)26-9-3-6-19(26)22(29)30/h1-2,4-5,13-14,17,19,24H,3,6-12,23H2,(H,29,30)/t17-,19-/m0/s1