3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-methylsulfonylphenyl)propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-methylsulfonylphenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-methylsulfonylphenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(2-methylsulfonylphenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-methylsulfonylphenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(2-mesylphenyl)propionic acid Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H27N3O5S/c1-31(29,30)19-8-4-3-7-17(19)18(14-21(27)28)25-20(26)9-5-2-6-15-10-12-16(13-11-15)22(23)24/h3-4,7-8,10-13,18H,2,5-6,9,14H2,1H3,(H3,23,24)(H,25,26)(H,27,28)