1-(9-oxidanylidenenonanoyl)-2-phenylmethoxycarbonyl-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(9-oxidanylidenenonanoyl)-2-phenylmethoxycarbonyl-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-1-(9-oxononanoyl)-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid CAS Name: 1-(1,9-dioxononyl)-2-phenylmethoxycarbonyl-3-(1-pyrrolidinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(9-oxononanoyl)-2-phenylmethoxycarbonyl-3-pyrrolidin-1-ylpyrrolidine-2-carboxylic acid Traditional Name: 2-carbobenzoxy-1-(9-ketononanoyl)-3-pyrrolidino-proline Formula: C26H36N2O6 MolecularWeight: 472.57384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(C2(C(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)CCCCCCCC=O

Isomeric SMILES

C1CCN(C1)C2CCN(C2(C(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)CCCCCCCC=O

InChI

InChI=1S/C26H36N2O6/c29-19-11-4-2-1-3-8-14-23(30)28-18-15-22(27-16-9-10-17-27)26(28,24(31)32)25(33)34-20-21-12-6-5-7-13-21/h5-7,12-13,19,22H,1-4,8-11,14-18,20H2,(H,31,32)