4-[4-(4-carbamimidoylphenyl)butylamino]-3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-4-oxo-3-(p-tolylsulfonylamino)butanoic acid CAS Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-3-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-[4-(4-carbamimidoylphenyl)butylamino]-3-[(4-methylphenyl)sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-[4-(4-amidinophenyl)butylamino]-4-keto-3-(tosylamino)butyric acid Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c1-15-5-11-18(12-6-15)32(30,31)26-19(14-20(27)28)22(29)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,25,29)(H,27,28)