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

Systemtic Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C23H23N3O6 MolecularWeight: 437.44522

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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)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O6/c1-26-21(27)20(19(31-2)13-24-26)17-10-8-15(9-11-17)12-18(22(28)29)25-23(30)32-14-16-6-4-3-5-7-16/h3-11,13,18H,12,14H2,1-2H3,(H,25,30)(H,28,29)/t18-/m0/s1