4-[4-(4-carbamimidoylphenyl)butylamino]-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-2-(p-tolylsulfonylamino)butanoic acid CAS Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-[4-(4-amidinophenyl)butylamino]-4-keto-2-(tosylamino)butyric acid Formula: C22H28N4O5S MolecularWeight: 460.54652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCCCCC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C22H28N4O5S/c1-15-5-11-18(12-6-15)32(30,31)26-19(22(28)29)14-20(27)25-13-3-2-4-16-7-9-17(10-8-16)21(23)24/h5-12,19,26H,2-4,13-14H2,1H3,(H3,23,24)(H,25,27)(H,28,29)