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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c22-21(23)16-7-5-14(6-8-16)3-1-2-4-19(26)24-18(13-20(27)28)15-9-11-17(25)12-10-15/h5-12,18,25H,1-4,13H2,(H3,22,23)(H,24,26)(H,27,28)