3-[3-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]propanoylamino]propanoic acid

Systemtic Name: 3-[3-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]propanoylamino]propanoic acid Openeye Name: 3-[3-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]propanoylamino]propanoic acid CAS Name: 3-[[3-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]propanoylamino]propanoic acid Traditional Name: 3-[3-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]propanoylamino]propionic acid Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)N2C=CN(C2=O)CCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)N2C=CN(C2=O)CCC(=O)NCCC(=O)O

InChI

InChI=1S/C16H19N5O4/c17-15(18)11-1-3-12(4-2-11)21-10-9-20(16(21)25)8-6-13(22)19-7-5-14(23)24/h1-4,9-10H,5-8H2,(H3,17,18)(H,19,22)(H,23,24)