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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-methoxyphenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-methoxyphenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(3-methoxyphenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-methoxyphenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(3-methoxyphenyl)propionic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-29-18-7-4-6-17(13-18)19(14-21(27)28)25-20(26)8-3-2-5-15-9-11-16(12-10-15)22(23)24/h4,6-7,9-13,19H,2-3,5,8,14H2,1H3,(H3,23,24)(H,25,26)(H,27,28)