(phenylmethyl) (2S)-1-(2-acetamido-2-prop-2-enyl-pent-4-enoyl)pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-(2-acetamido-2-prop-2-enyl-pent-4-enoyl)pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(2-acetamido-2-allyl-pent-4-enoyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-acetamido-1-oxo-2-prop-2-enylpent-4-enyl)-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(2-acetamido-2-prop-2-enylpent-4-enoyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-acetamido-2-allyl-pent-4-enoyl)pyrrolidine-2-carboxylic acid benzyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC=C)(CC=C)C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(CC=C)(CC=C)C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O4/c1-4-13-22(14-5-2,23-17(3)25)21(27)24-15-9-12-19(24)20(26)28-16-18-10-7-6-8-11-18/h4-8,10-11,19H,1-2,9,12-16H2,3H3,(H,23,25)/t19-/m0/s1