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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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