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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(4-fluorophenyl)sulfanyl-butanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(4-fluorophenyl)sulfanyl-butanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-4-[(4-fluorophenyl)thio]butanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-(4-fluorophenyl)sulfanylbutanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-4-[(4-fluorophenyl)thio]butyric acid Formula: C22H26FN3O3S MolecularWeight: 431.523543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(=O)NC(CC(=O)O)CSC2=CC=C(C=C2)F)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)NC(CC(=O)O)CSC2=CC=C(C=C2)F)C(=N)N

InChI

InChI=1S/C22H26FN3O3S/c23-17-9-11-19(12-10-17)30-14-18(13-21(28)29)26-20(27)4-2-1-3-15-5-7-16(8-6-15)22(24)25/h5-12,18H,1-4,13-14H2,(H3,24,25)(H,26,27)(H,28,29)