(2S)-2-(1H-imidazol-5-ylcarbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-(1H-imidazol-5-ylcarbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-(1H-imidazole-5-carbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[1H-imidazol-5-yl(oxo)methyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-(1H-imidazole-5-carbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-(1H-imidazole-5-carbonylamino)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CN=CN3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=CN=CN3

InChI

InChI=1S/C19H19N5O5/c1-24-18(26)16(15(29-2)9-22-24)12-5-3-11(4-6-12)7-13(19(27)28)23-17(25)14-8-20-10-21-14/h3-6,8-10,13H,7H2,1-2H3,(H,20,21)(H,23,25)(H,27,28)/t13-/m0/s1