2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-(6-benzamido-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-(6-benzamido-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(6-benzamido-1H-indol-3-yl)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]acetic acid CAS Name: 2-(6-benzamido-1H-indol-3-yl)-2-[(2S)-2-carbamoyl-1-pyrrolidinyl]acetic acid IUPAC Name: 2-(6-benzamido-1H-indol-3-yl)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]acetic acid Traditional Name: 2-(6-benzamido-1H-indol-3-yl)-2-[(2S)-2-carbamoylpyrrolidino]acetic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)O)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(C2=CNC3=C2C=CC(=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)16-12-24-17-11-14(8-9-15(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