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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(3-pyridyl)propionic acid Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3/c21-20(22)15-9-7-14(8-10-15)4-1-2-6-18(25)24-17(12-19(26)27)16-5-3-11-23-13-16/h3,5,7-11,13,17H,1-2,4,6,12H2,(H3,21,22)(H,24,25)(H,26,27)