2-azanyl-3-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-azanyl-3-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-amino-3-[[3-[(4-carbamimidoylphenoxy)methyl]benzoyl]amino]propanoic acid CAS Name: 2-amino-3-[[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[3-[(4-carbamimidoylphenoxy)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-[(4-amidinophenoxy)methyl]benzoyl]amino]-2-amino-propionic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C(=N)N)C(=O)NCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C(=N)N)C(=O)NCC(C(=O)O)N

InChI

InChI=1S/C18H20N4O4/c19-15(18(24)25)9-22-17(23)13-3-1-2-11(8-13)10-26-14-6-4-12(5-7-14)16(20)21/h1-8,15H,9-10,19H2,(H3,20,21)(H,22,23)(H,24,25)