3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-[methyl(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-[methyl(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[benzenesulfonyl(methyl)amino]-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid CAS Name: 2-[benzenesulfonyl(methyl)amino]-3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-[benzenesulfonyl(methyl)amino]-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-2-[besyl(methyl)amino]propionic acid Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CNC(=O)CCCOC1=CC=C(C=C1)C(=N)N)C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CN(C(CNC(=O)CCCOC1=CC=C(C=C1)C(=N)N)C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N4O6S/c1-25(32(29,30)17-6-3-2-4-7-17)18(21(27)28)14-24-19(26)8-5-13-31-16-11-9-15(10-12-16)20(22)23/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H3,22,23)(H,24,26)(H,27,28)