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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(4-methylphenyl)sulfonyl-butanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(p-tolylsulfonyl)butanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-(4-methylphenyl)sulfonylbutanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(4-methylphenyl)sulfonylbutanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-4-tosyl-butyric acid Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S/c1-16-6-12-20(13-7-16)32(30,31)15-19(14-22(28)29)26-21(27)5-3-2-4-17-8-10-18(11-9-17)23(24)25/h6-13,19H,2-5,14-15H2,1H3,(H3,24,25)(H,26,27)(H,28,29)