2-azanyl-3-[4-[5-(4-carbamimidoylphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[5-(4-carbamimidoylphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[5-(4-carbamimidoylphenyl)-3-oxo-1H-pyrazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-5-keto-3-pyrazolin-1-yl]phenyl]-2-amino-propionic acid Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)N2C(=O)C=C(N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)N2C(=O)C=C(N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19N5O3/c20-15(19(26)27)9-11-1-7-14(8-2-11)24-17(25)10-16(23-24)12-3-5-13(6-4-12)18(21)22/h1-8,10,15,23H,9,20H2,(H3,21,22)(H,26,27)