(2S)-2-(cyclohexylcarbamoylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-(cyclohexylcarbamoylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-(cyclohexylcarbamoylamino)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-2-[[(cyclohexylamino)-oxomethyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-(cyclohexylcarbamoylamino)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-(cyclohexylcarbamoylamino)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C22H28N4O5 MolecularWeight: 428.48152

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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)NC3CCCCC3

Isomeric SMILES

CN1C(=O)C(=C(C=N1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C22H28N4O5/c1-26-20(27)19(18(31-2)13-23-26)15-10-8-14(9-11-15)12-17(21(28)29)25-22(30)24-16-6-4-3-5-7-16/h8-11,13,16-17H,3-7,12H2,1-2H3,(H,28,29)(H2,24,25,30)/t17-/m0/s1