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

Systemtic Name: (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonylamino]-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-[(3,5-dimethylisoxazole-4-carbonyl)amino]-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-[(3,5-dimethylisoxazole-4-carbonyl)amino]-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC(CC2=CC=C(C=C2)C3=C(C=NN(C3=O)C)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=C(C=NN(C3=O)C)OC)C(=O)O

InChI

InChI=1S/C21H22N4O6/c1-11-17(12(2)31-24-11)19(26)23-15(21(28)29)9-13-5-7-14(8-6-13)18-16(30-4)10-22-25(3)20(18)27/h5-8,10,15H,9H2,1-4H3,(H,23,26)(H,28,29)/t15-/m0/s1