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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-phenylsulfanyl-butanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-phenylsulfanyl-butanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-(phenylthio)butanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-phenylsulfanylbutanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-4-(phenylthio)butyric acid Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)SCC(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H27N3O3S/c23-22(24)17-12-10-16(11-13-17)6-4-5-9-20(26)25-18(14-21(27)28)15-29-19-7-2-1-3-8-19/h1-3,7-8,10-13,18H,4-6,9,14-15H2,(H3,23,24)(H,25,26)(H,27,28)