3-[[5-[(4-carbamimidoylphenyl)carbonylamino]-2-oxidanyl-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[5-[(4-carbamimidoylphenyl)carbonylamino]-2-oxidanyl-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[5-[(4-carbamimidoylbenzoyl)amino]-2-hydroxy-benzoyl]amino]propanoic acid CAS Name: 3-[[[5-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-hydroxyphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-[(4-carbamimidoylbenzoyl)amino]-2-hydroxybenzoyl]amino]propanoic acid Traditional Name: 3-[[5-[(4-amidinobenzoyl)amino]-2-hydroxy-benzoyl]amino]propionic acid Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)C(=O)NC2=CC(=C(C=C2)O)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)C(=O)NC2=CC(=C(C=C2)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C18H18N4O5/c19-16(20)10-1-3-11(4-2-10)17(26)22-12-5-6-14(23)13(9-12)18(27)21-8-7-15(24)25/h1-6,9,23H,7-8H2,(H3,19,20)(H,21,27)(H,22,26)(H,24,25)