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

Systemtic Name: 3-[[3-[(4-carbamimidoylphenyl)carbonylamino]-4-oxidanyl-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[(4-carbamimidoylbenzoyl)amino]-4-hydroxy-benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-hydroxyphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[(4-carbamimidoylbenzoyl)amino]-4-hydroxybenzoyl]amino]propanoic acid Traditional Name: 3-[[3-[(4-amidinobenzoyl)amino]-4-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=C(C=CC(=C2)C(=O)NCCC(=O)O)O

Isomeric SMILES

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

InChI

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