3-[5-(4-carbamimidoylphenoxy)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenoxy)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenoxy)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenoxy)-1-oxopentyl]amino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenoxy)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[5-(4-amidinophenoxy)pentanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propionic acid Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C22H28N4O7S/c1-32-18-6-2-3-7-19(18)34(30,31)26-17(22(28)29)14-25-20(27)8-4-5-13-33-16-11-9-15(10-12-16)21(23)24/h2-3,6-7,9-12,17,26H,4-5,8,13-14H2,1H3,(H3,23,24)(H,25,27)(H,28,29)