3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanyl-ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanyl-ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]-1-hydroxy-ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-hydroxyethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]-1-hydroxyethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(4-amidinobenzoyl)amino]-1-hydroxy-ethyl]phenyl]propionic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C(CNC(=O)C2=CC=C(C=C2)C(=N)N)O

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C(CNC(=O)C2=CC=C(C=C2)C(=N)N)O

InChI

InChI=1S/C19H21N3O4/c20-18(21)14-6-8-15(9-7-14)19(26)22-11-16(23)13-4-1-12(2-5-13)3-10-17(24)25/h1-2,4-9,16,23H,3,10-11H2,(H3,20,21)(H,22,26)(H,24,25)