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

Systemtic Name: (2S)-2-(2-hydroxyethylcarbamoylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-(2-hydroxyethylcarbamoylamino)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[(2-hydroxyethylamino)-oxomethyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-(2-hydroxyethylcarbamoylamino)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-(2-hydroxyethylcarbamoylamino)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C18H22N4O6 MolecularWeight: 390.39048

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)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6/c1-22-16(24)15(14(28-2)10-20-22)12-5-3-11(4-6-12)9-13(17(25)26)21-18(27)19-7-8-23/h3-6,10,13,23H,7-9H2,1-2H3,(H,25,26)(H2,19,21,27)/t13-/m0/s1