(2S)-2-[[6-chloranyl-1-[(4-fluorophenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]butanoic acid

Systemtic Name: (2S)-2-[[6-chloranyl-1-[(4-fluorophenyl)methyl]-2-oxidanyl-4-oxidanylidene-pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[[6-chloro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxo-pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]butanoic acid CAS Name: (2S)-2-[[[6-chloro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxo-3-pyrrolo[1,2-b]pyridazinyl]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-2-[[6-chloro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]butanoic acid Traditional Name: (2S)-2-[[6-chloro-1-(4-fluorobenzyl)-2-hydroxy-4-keto-pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]butyric acid Formula: C19H17ClFN3O5 MolecularWeight: 421.806783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=C(N(N2C=C(C=C2C1=O)Cl)CC3=CC=C(C=C3)F)O

Isomeric SMILES

CC[C@@H](C(=O)O)NC(=O)C1=C(N(N2C=C(C=C2C1=O)Cl)CC3=CC=C(C=C3)F)O

InChI

InChI=1S/C19H17ClFN3O5/c1-2-13(19(28)29)22-17(26)15-16(25)14-7-11(20)9-23(14)24(18(15)27)8-10-3-5-12(21)6-4-10/h3-7,9,13,27H,2,8H2,1H3,(H,22,26)(H,28,29)/t13-/m0/s1