3-[[4-(4-carbamimidoylpiperazin-1-yl)phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[4-(4-carbamimidoylpiperazin-1-yl)phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[4-(4-carbamimidoylpiperazin-1-yl)benzoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[[4-(4-carbamimidoyl-1-piperazinyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[4-(4-carbamimidoylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 3-[[4-(4-amidinopiperazino)benzoyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C21H26N6O5S MolecularWeight: 474.53334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C(=N)N

InChI

InChI=1S/C21H26N6O5S/c22-21(23)27-12-10-26(11-13-27)16-8-6-15(7-9-16)19(28)24-14-18(20(29)30)25-33(31,32)17-4-2-1-3-5-17/h1-9,18,25H,10-14H2,(H3,22,23)(H,24,28)(H,29,30)