(2S)-2-[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]-2-(5-benzamido-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]-2-(5-benzamido-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(2S)-2-carbamoyl-1-pyrrolidin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]acetate Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4/c23-20(27)18-7-4-10-26(18)19(22(29)30)16-12-24-17-9-8-14(11-15(16)17)25-21(28)13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,18-19,24H,4,7,10H2,(H2,23,27)(H,25,28)(H,29,30)/t18-,19-/m0/s1