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

Systemtic Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-(pyrrolidin-2-ylcarbonylamino)propanoic acid Openeye Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]-2-(pyrrolidine-2-carbonylamino)propanoic acid CAS Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]-2-[[oxo(2-pyrrolidinyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-2-(pyrrolidine-2-carbonylamino)propanoic acid Traditional Name: (2S)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]-2-(prolylamino)propionic acid Formula: C20H24N4O5 MolecularWeight: 400.42836

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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)C3CCCN3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3CCCN3

InChI

InChI=1S/C20H24N4O5/c1-24-19(26)17(16(29-2)11-22-24)13-7-5-12(6-8-13)10-15(20(27)28)23-18(25)14-4-3-9-21-14/h5-8,11,14-15,21H,3-4,9-10H2,1-2H3,(H,23,25)(H,27,28)/t14?,15-/m0/s1