3-[6-(4-carbamimidoylphenyl)hexanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[6-(4-carbamimidoylphenyl)hexanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[6-(4-carbamimidoylphenyl)hexanoylamino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[6-(4-carbamimidoylphenyl)-1-oxohexyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[6-(4-carbamimidoylphenyl)hexanoylamino]propanoic acid Traditional Name: 3-[6-(4-amidinophenyl)hexanoylamino]-2-(benzenesulfonamido)propionic acid Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C22H28N4O5S/c23-21(24)17-13-11-16(12-14-17)7-3-1-6-10-20(27)25-15-19(22(28)29)26-32(30,31)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,19,26H,1,3,6-7,10,15H2,(H3,23,24)(H,25,27)(H,28,29)