3-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonylpyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidin-1-yl]carbonylpyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[(2R,5S)-5-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]prolyl]amino]benzoic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2)C(=O)NC3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CC[C@@H](N2)C(=O)NC3=CC=CC(=C3)C(=O)O)C#N

InChI

InChI=1S/C18H20N4O4/c19-10-13-5-2-8-22(13)17(24)15-7-6-14(21-15)16(23)20-12-4-1-3-11(9-12)18(25)26/h1,3-4,9,13-15,21H,2,5-8H2,(H,20,23)(H,25,26)/t13-,14+,15-/m0/s1