4-[1-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[1-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[1-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-hydroxy-3-oxo-propyl]benzoic acid CAS Name: 4-[1-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-hydroxy-3-oxopropyl]benzoic acid IUPAC Name: 4-[1-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-hydroxy-3-oxopropyl]benzoic acid Traditional Name: 4-[1-[5-(4-amidinophenyl)pentanoylamino]-3-hydroxy-3-keto-propyl]benzoic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c23-21(24)16-7-5-14(6-8-16)3-1-2-4-19(26)25-18(13-20(27)28)15-9-11-17(12-10-15)22(29)30/h5-12,18H,1-4,13H2,(H3,23,24)(H,25,26)(H,27,28)(H,29,30)