3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[(4-methylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[(4-methylphenyl)sulfonylamino]butanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(p-tolylsulfonylamino)butanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-[(4-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-[(4-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-4-(tosylamino)butyric acid Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H30N4O5S/c1-16-6-12-20(13-7-16)33(31,32)26-15-19(14-22(29)30)27-21(28)5-3-2-4-17-8-10-18(11-9-17)23(24)25/h6-13,19,26H,2-5,14-15H2,1H3,(H3,24,25)(H,27,28)(H,29,30)