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

Systemtic Name: (2S)-2-azanyl-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxidanylidene-pyridazin-4-yl]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxo-pyridazin-4-yl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxo-4-pyridazinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[2-(2-hydroxyethyl)-3-keto-5-methoxy-pyridazin-4-yl]phenyl]propionic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(N=C1)CCO)C2=CC=C(C=C2)CC(C(=O)O)N

Isomeric SMILES

COC1=C(C(=O)N(N=C1)CCO)C2=CC=C(C=C2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C16H19N3O5/c1-24-13-9-18-19(6-7-20)15(21)14(13)11-4-2-10(3-5-11)8-12(17)16(22)23/h2-5,9,12,20H,6-8,17H2,1H3,(H,22,23)/t12-/m0/s1