(2S)-2-[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(6-benzyloxy-1H-indol-3-yl)-2-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]acetate CAS Name: (2S)-2-[(2S)-2-carbamoyl-1-pyrrolidin-1-iumyl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(6-benzoxy-1H-indol-3-yl)-2-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]acetate Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-])C(=O)N

Isomeric SMILES

C1C[C@H]([NH+](C1)[C@@H](C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-])C(=O)N

InChI

InChI=1S/C22H23N3O4/c23-21(26)19-7-4-10-25(19)20(22(27)28)17-12-24-18-11-15(8-9-16(17)18)29-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,19-20,24H,4,7,10,13H2,(H2,23,26)(H,27,28)/t19-,20-/m0/s1