(2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]amino]propanoic acid

Systemtic Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]amino]propanoic acid Openeye Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]amino]propanoic acid CAS Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]-2-[[[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]amino]propanoic acid Traditional Name: (2S)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]amino]propionic acid Formula: C27H28N6O5 MolecularWeight: 516.54842

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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)N(C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N6O5/c1-31(16-19-14-29-33(17-19)21-7-5-4-6-8-21)27(37)30-22(26(35)36)13-18-9-11-20(12-10-18)24-23(38-3)15-28-32(2)25(24)34/h4-12,14-15,17,22H,13,16H2,1-3H3,(H,30,37)(H,35,36)/t22-/m0/s1