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

Systemtic Name: 2-[2-[[2-acetamido-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-[[2-acetamido-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-[[2-acetamido-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[[2-acetamido-4-(4-carbamimidoylphenyl)phenoxy]methyl]-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-[[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)OCC3C(CCN3C(=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)OCC3C(CCN3C(=O)C4=CN=CC=C4)CC(=O)O

InChI

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