ethanoyl 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(phenethylsulfonylamino)propaneperoxoate

Systemtic Name: ethanoyl 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(phenethylsulfonylamino)propaneperoxoate Openeye Name: acetyl 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(phenethylsulfonylamino)propaneperoxoate CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-(phenethylsulfonylamino)propaneperoxoic acid acetyl ester IUPAC Name: acetyl 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(phenethylsulfonylamino)propaneperoxoate Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-2-(phenethylsulfonylamino)peroxypropionic acid acetyl ester Formula: C26H32N6O8S MolecularWeight: 588.63268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC(=O)C(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OOC(=O)C(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H32N6O8S/c1-18(33)39-40-26(36)22(30-41(37,38)14-11-19-5-3-2-4-6-19)15-29-23(34)16-32-13-12-31(17-24(32)35)21-9-7-20(8-10-21)25(27)28/h2-10,22,30H,11-17H2,1H3,(H3,27,28)(H,29,34)