(2R)-1-[(E)-2-butyl-5-[(2R)-2-phenylmethoxycarbonylpyrrolidin-1-yl]carbonyl-non-3-enoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2R)-1-[(E)-2-butyl-5-[(2R)-2-phenylmethoxycarbonylpyrrolidin-1-yl]carbonyl-non-3-enoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2R)-1-[(E)-5-[(2R)-2-benzyloxycarbonylpyrrolidine-1-carbonyl]-2-butyl-non-3-enoyl]pyrrolidine-2-carboxylic acid CAS Name: (2R)-1-[(E)-2-butyl-1-oxo-5-[oxo-[(2R)-2-phenylmethoxycarbonyl-1-pyrrolidinyl]methyl]non-3-enyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R)-1-[(E)-2-butyl-5-[(2R)-2-phenylmethoxycarbonylpyrrolidine-1-carbonyl]non-3-enoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2R)-1-[(E)-2-butyl-5-[(2R)-2-carbobenzoxypyrrolidine-1-carbonyl]non-3-enoyl]proline Formula: C31H44N2O6 MolecularWeight: 540.69086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=CC(CCCC)C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CCCCC(/C=C/C(CCCC)C(=O)N1CCC[C@@H]1C(=O)OCC2=CC=CC=C2)C(=O)N3CCC[C@@H]3C(=O)O

InChI

InChI=1S/C31H44N2O6/c1-3-5-14-24(28(34)32-20-10-16-26(32)30(36)37)18-19-25(15-6-4-2)29(35)33-21-11-17-27(33)31(38)39-22-23-12-8-7-9-13-23/h7-9,12-13,18-19,24-27H,3-6,10-11,14-17,20-22H2,1-2H3,(H,36,37)/b19-18+/t24?,25?,26-,27-/m1/s1