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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1OC)OC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC(C(=O)NCC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1OC)OC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H26N4O7S/c1-3-16(32-14-10-8-13(9-11-14)19(22)23)20(26)24-12-15(21(27)28)25-33(29,30)18-7-5-4-6-17(18)31-2/h4-11,15-16,25H,3,12H2,1-2H3,(H3,22,23)(H,24,26)(H,27,28)