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

Systemtic Name: (2S)-2-(1H-indazol-3-ylcarbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-(1H-indazole-3-carbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[1H-indazol-3-yl(oxo)methyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-(1H-indazole-3-carbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-(1H-indazole-3-carbonylamino)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C23H21N5O5 MolecularWeight: 447.44334

Click to see the large picture

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=NNC4=CC=CC=C43

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C23H21N5O5/c1-28-22(30)19(18(33-2)12-24-28)14-9-7-13(8-10-14)11-17(23(31)32)25-21(29)20-15-5-3-4-6-16(15)26-27-20/h3-10,12,17H,11H2,1-2H3,(H,25,29)(H,26,27)(H,31,32)/t17-/m0/s1