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

Systemtic Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid CAS Name: 3-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[4-(4-amidinophenoxy)butanoylamino]-2-[(2-ethylphenyl)sulfonylamino]propionic acid Formula: C22H28N4O6S MolecularWeight: 476.54592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CCCOC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C22H28N4O6S/c1-2-15-6-3-4-7-19(15)33(30,31)26-18(22(28)29)14-25-20(27)8-5-13-32-17-11-9-16(10-12-17)21(23)24/h3-4,6-7,9-12,18,26H,2,5,8,13-14H2,1H3,(H3,23,24)(H,25,27)(H,28,29)