3-[[6-(4-carbamimidoylphenyl)-6-oxidanylidene-hexanoyl]amino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[6-(4-carbamimidoylphenyl)-6-oxidanylidene-hexanoyl]amino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[6-(4-carbamimidoylphenyl)-6-oxo-hexanoyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[6-(4-carbamimidoylphenyl)-1,6-dioxohexyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[6-(4-carbamimidoylphenyl)-6-oxohexanoyl]amino]propanoic acid Traditional Name: 3-[[6-(4-amidinophenyl)-6-keto-hexanoyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCCC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCCC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C22H26N4O6S/c23-21(24)16-12-10-15(11-13-16)19(27)8-4-5-9-20(28)25-14-18(22(29)30)26-33(31,32)17-6-2-1-3-7-17/h1-3,6-7,10-13,18,26H,4-5,8-9,14H2,(H3,23,24)(H,25,28)(H,29,30)