3,4-bis(oxidanyl)-1-(6-oxidanylidenehexanoyl)-2-phenylmethoxycarbonyl-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3,4-bis(oxidanyl)-1-(6-oxidanylidenehexanoyl)-2-phenylmethoxycarbonyl-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-3,4-dihydroxy-1-(6-oxohexanoyl)-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid CAS Name: 1-(1,6-dioxohexyl)-3,4-dihydroxy-2-phenylmethoxycarbonyl-3-(1-pyrrolidinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3,4-dihydroxy-1-(6-oxohexanoyl)-2-phenylmethoxycarbonyl-3-pyrrolidin-1-ylpyrrolidine-2-carboxylic acid Traditional Name: 2-carbobenzoxy-3,4-dihydroxy-1-(6-ketohexanoyl)-3-pyrrolidino-proline Formula: C23H30N2O8 MolecularWeight: 462.4929

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2(C(CN(C2(C(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)CCCCC=O)O)O

Isomeric SMILES

C1CCN(C1)C2(C(CN(C2(C(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)CCCCC=O)O)O

InChI

InChI=1S/C23H30N2O8/c26-14-8-2-5-11-19(28)25-15-18(27)23(32,24-12-6-7-13-24)22(25,20(29)30)21(31)33-16-17-9-3-1-4-10-17/h1,3-4,9-10,14,18,27,32H,2,5-8,11-13,15-16H2,(H,29,30)