1-[(E)-6-oxidanylidene-6-(2-phenylmethoxycarbonylpyrrolidin-1-yl)-2,5-bis(phenylmethyl)hex-3-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-6-oxidanylidene-6-(2-phenylmethoxycarbonylpyrrolidin-1-yl)-2,5-bis(phenylmethyl)hex-3-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(E)-2,5-dibenzyl-6-(2-benzyloxycarbonylpyrrolidin-1-yl)-6-oxo-hex-3-enoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-1,6-dioxo-6-(2-phenylmethoxycarbonyl-1-pyrrolidinyl)-2,5-bis(phenylmethyl)hex-3-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-2,5-dibenzyl-6-oxo-6-(2-phenylmethoxycarbonylpyrrolidin-1-yl)hex-3-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(E)-2,5-dibenzyl-6-(2-carbobenzoxypyrrolidino)-6-keto-hex-3-enoyl]proline Formula: C37H40N2O6 MolecularWeight: 608.7233

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)C=CC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)/C=C/C(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C37H40N2O6/c40-34(38-22-10-18-32(38)36(42)43)30(24-27-12-4-1-5-13-27)20-21-31(25-28-14-6-2-7-15-28)35(41)39-23-11-19-33(39)37(44)45-26-29-16-8-3-9-17-29/h1-9,12-17,20-21,30-33H,10-11,18-19,22-26H2,(H,42,43)/b21-20+