(2S)-2-[[6-chloranyl-2-oxidanyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[6-chloranyl-2-oxidanyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[6-chloro-2-hydroxy-4-oxo-1-(2-pyridylmethyl)pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[6-chloro-2-hydroxy-4-oxo-1-(2-pyridinylmethyl)-3-pyrrolo[1,2-b]pyridazinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[6-chloro-2-hydroxy-4-oxo-1-(pyridin-2-ylmethyl)pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[6-chloro-2-hydroxy-4-keto-1-(2-pyridylmethyl)pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]propionic acid Formula: C17H15ClN4O5 MolecularWeight: 390.7778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=C(N(N2C=C(C=C2C1=O)Cl)CC3=CC=CC=N3)O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=C(N(N2C=C(C=C2C1=O)Cl)CC3=CC=CC=N3)O

InChI

InChI=1S/C17H15ClN4O5/c1-9(17(26)27)20-15(24)13-14(23)12-6-10(18)7-21(12)22(16(13)25)8-11-4-2-3-5-19-11/h2-7,9,25H,8H2,1H3,(H,20,24)(H,26,27)/t9-/m0/s1