3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(phenethylsulfonylamino)propanoic acid

Systemtic Name: 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(phenethylsulfonylamino)propanoic acid Openeye Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(phenethylsulfonylamino)propanoic acid CAS Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-(phenethylsulfonylamino)propanoic acid IUPAC Name: 3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(phenethylsulfonylamino)propanoic acid Traditional Name: 3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]-2-(phenethylsulfonylamino)propionic acid Formula: C24H27N5O6S MolecularWeight: 513.56608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(C(=O)O)NS(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(C(=O)O)NS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H27N5O6S/c25-14-19-6-8-20(9-7-19)28-11-12-29(23(31)17-28)16-22(30)26-15-21(24(32)33)27-36(34,35)13-10-18-4-2-1-3-5-18/h1-9,21,27H,10-13,15-17H2,(H,26,30)(H,32,33)