(2R)-2-[[6-chloranyl-2-oxidanyl-4-oxidanylidene-1-[(4-phenylphenyl)methyl]pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2R)-2-[[6-chloranyl-2-oxidanyl-4-oxidanylidene-1-[(4-phenylphenyl)methyl]pyrrolo[1,2-b]pyridazin-3-yl]carbonylamino]propanoic acid Openeye Name: (2R)-2-[[6-chloro-2-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]propanoic acid CAS Name: (2R)-2-[[[6-chloro-2-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]-3-pyrrolo[1,2-b]pyridazinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-2-[[6-chloro-2-hydroxy-4-oxo-1-[(4-phenylphenyl)methyl]pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]propanoic acid Traditional Name: (2R)-2-[[6-chloro-2-hydroxy-4-keto-1-(4-phenylbenzyl)pyrrolo[1,2-b]pyridazine-3-carbonyl]amino]propionic acid Formula: C24H20ClN3O5 MolecularWeight: 465.8857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=C(N(N2C=C(C=C2C1=O)Cl)CC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

C[C@H](C(=O)O)NC(=O)C1=C(N(N2C=C(C=C2C1=O)Cl)CC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H20ClN3O5/c1-14(24(32)33)26-22(30)20-21(29)19-11-18(25)13-27(19)28(23(20)31)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,13-14,31H,12H2,1H3,(H,26,30)(H,32,33)/t14-/m1/s1