(2S)-2-[[1-(4-fluorophenyl)cyclopentyl]carbonylamino]-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[1-(4-fluorophenyl)cyclopentyl]carbonylamino]-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[[1-(4-fluorophenyl)cyclopentyl]-oxomethyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C27H28FN3O5 MolecularWeight: 493.526723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3(CCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3(CCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H28FN3O5/c1-31-24(32)23(22(36-2)16-29-31)18-7-5-17(6-8-18)15-21(25(33)34)30-26(35)27(13-3-4-14-27)19-9-11-20(28)12-10-19/h5-12,16,21H,3-4,13-15H2,1-2H3,(H,30,35)(H,33,34)/t21-/m0/s1