1-[4-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]piperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]piperidin-4-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[oxo-[4-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]-4-piperidinyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]isonipecotoyl]proline Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2(CCNCC2)NC(=O)CCN3C4=CC=CC=C4OC3=O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2(CCNCC2)NC(=O)CCN3C4=CC=CC=C4OC3=O)C(=O)O

InChI

InChI=1S/C21H26N4O6/c26-17(7-13-25-14-4-1-2-6-16(14)31-20(25)30)23-21(8-10-22-11-9-21)19(29)24-12-3-5-15(24)18(27)28/h1-2,4,6,15,22H,3,5,7-13H2,(H,23,26)(H,27,28)