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

Systemtic Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid CAS Name: 3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-2-[(2-methoxyphenyl)sulfonylamino]propionic acid Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C21H26N4O7S/c1-31-17-5-2-3-6-18(17)33(29,30)25-16(21(27)28)13-24-19(26)7-4-12-32-15-10-8-14(9-11-15)20(22)23/h2-3,5-6,8-11,16,25H,4,7,12-13H2,1H3,(H3,22,23)(H,24,26)(H,27,28)