2-[5-[[2-acetamido-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[2-acetamido-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[2-acetamido-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[5-[[2-acetamido-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-[[2-acetamido-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[5-[[2-acetamido-4-(4-amidinophenyl)phenoxy]methyl]-1-nicotinoyl-pyrrolidin-3-yl]acetic acid Formula: C28H29N5O5 MolecularWeight: 515.56036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)OCC3CC(CN3C(=O)C4=CN=CC=C4)CC(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)N)OCC3CC(CN3C(=O)C4=CN=CC=C4)CC(=O)O

InChI

InChI=1S/C28H29N5O5/c1-17(34)32-24-13-21(19-4-6-20(7-5-19)27(29)30)8-9-25(24)38-16-23-11-18(12-26(35)36)15-33(23)28(37)22-3-2-10-31-14-22/h2-10,13-14,18,23H,11-12,15-16H2,1H3,(H3,29,30)(H,32,34)(H,35,36)