3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2,5-dimethoxyphenyl)propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2,5-dimethoxyphenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2,5-dimethoxyphenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(2,5-dimethoxyphenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2,5-dimethoxyphenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(2,5-dimethoxyphenyl)propionic acid Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5/c1-30-17-11-12-20(31-2)18(13-17)19(14-22(28)29)26-21(27)6-4-3-5-15-7-9-16(10-8-15)23(24)25/h7-13,19H,3-6,14H2,1-2H3,(H3,24,25)(H,26,27)(H,28,29)