3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C22H26N6O6S MolecularWeight: 502.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O6S/c23-21(24)15-6-8-16(9-7-15)27-10-11-28(20(30)14-27)13-19(29)25-12-18(22(31)32)26-35(33,34)17-4-2-1-3-5-17/h1-9,18,26H,10-14H2,(H3,23,24)(H,25,29)(H,31,32)