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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(4-benzoxyphenyl)propionic acid Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CC(=O)O)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CC(=O)O)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H31N3O4/c29-28(30)23-12-10-20(11-13-23)6-4-5-9-26(32)31-25(18-27(33)34)22-14-16-24(17-15-22)35-19-21-7-2-1-3-8-21/h1-3,7-8,10-17,25H,4-6,9,18-19H2,(H3,29,30)(H,31,32)(H,33,34)