3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-(phenylsulfonylamino)propanoic acid; methanamine

Systemtic Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-(phenylsulfonylamino)propanoic acid; methanamine Openeye Name: 2-(benzenesulfonamido)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid; methanamine CAS Name: 2-(benzenesulfonamido)-3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]propanoic acid; methanamine IUPAC Name: 2-(benzenesulfonamido)-3-[4-(4-carbamimidoylphenoxy)butanoylamino]propanoic acid; methanamine Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-2-(benzenesulfonamido)propionic acid; methylamine Formula: C21H29N5O6S MolecularWeight: 479.54986

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Descriptors Computed from Structure

Canonical SMILES:

CN.C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CN.C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C20H24N4O6S.CH5N/c21-19(22)14-8-10-15(11-9-14)30-12-4-7-18(25)23-13-17(20(26)27)24-31(28,29)16-5-2-1-3-6-16;1-2/h1-3,5-6,8-11,17,24H,4,7,12-13H2,(H3,21,22)(H,23,25)(H,26,27);2H2,1H3