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

Systemtic Name: 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(propan-2-ylsulfonylamino)propanoic acid Openeye Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(isopropylsulfonylamino)propanoic acid CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-(propan-2-ylsulfonylamino)propanoic acid IUPAC Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(propan-2-ylsulfonylamino)propanoic acid Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-2-(isopropylsulfonylamino)propionic acid Formula: C19H28N6O6S MolecularWeight: 468.52722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C19H28N6O6S/c1-12(2)32(30,31)23-15(19(28)29)9-22-16(26)10-25-8-7-24(11-17(25)27)14-5-3-13(4-6-14)18(20)21/h3-6,12,15,23H,7-11H2,1-2H3,(H3,20,21)(H,22,26)(H,28,29)