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

Systemtic Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-(piperidin-4-ylcarbonylamino)propanoic acid Openeye Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]-2-(piperidine-4-carbonylamino)propanoic acid CAS Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]-2-[[oxo(4-piperidinyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-2-(piperidine-4-carbonylamino)propanoic acid Traditional Name: (2S)-2-(isonipecotoylamino)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C21H26N4O5 MolecularWeight: 414.45494

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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)C3CCNCC3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3CCNCC3

InChI

InChI=1S/C21H26N4O5/c1-25-20(27)18(17(30-2)12-23-25)14-5-3-13(4-6-14)11-16(21(28)29)24-19(26)15-7-9-22-10-8-15/h3-6,12,15-16,22H,7-11H2,1-2H3,(H,24,26)(H,28,29)/t16-/m0/s1