3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-methoxy-2-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-methoxy-2-oxidanyl-phenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-hydroxy-4-methoxy-phenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(2-hydroxy-4-methoxyphenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-hydroxy-4-methoxyphenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(2-hydroxy-4-methoxy-phenyl)propionic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N)O

InChI

InChI=1S/C22H27N3O5/c1-30-16-10-11-17(19(26)12-16)18(13-21(28)29)25-20(27)5-3-2-4-14-6-8-15(9-7-14)22(23)24/h6-12,18,26H,2-5,13H2,1H3,(H3,23,24)(H,25,27)(H,28,29)