2-[[4-[3-(4-carbamimidoylphenyl)pentanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 2-[[4-[3-(4-carbamimidoylphenyl)pentanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 2-[[4-[3-(4-carbamimidoylphenyl)pentanoylamino]phenyl]sulfonylamino]propanoic acid CAS Name: 2-[[4-[[3-(4-carbamimidoylphenyl)-1-oxopentyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 2-[[4-[3-(4-carbamimidoylphenyl)pentanoylamino]phenyl]sulfonylamino]propanoic acid Traditional Name: 2-[[4-[3-(4-amidinophenyl)pentanoylamino]phenyl]sulfonylamino]propionic acid Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H26N4O5S/c1-3-14(15-4-6-16(7-5-15)20(22)23)12-19(26)24-17-8-10-18(11-9-17)31(29,30)25-13(2)21(27)28/h4-11,13-14,25H,3,12H2,1-2H3,(H3,22,23)(H,24,26)(H,27,28)