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

Systemtic Name: (2S)-2-(diphenylcarbamoylamino)-3-[4-(5-methoxy-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid Openeye Name: (2S)-2-(diphenylcarbamoylamino)-3-[4-(5-methoxy-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid CAS Name: (2S)-3-[4-(5-methoxy-2-methyl-3-oxo-4-pyridazinyl)phenyl]-2-[[oxo-(N-phenylanilino)methyl]amino]propanoic acid IUPAC Name: (2S)-2-(diphenylcarbamoylamino)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid Traditional Name: (2S)-2-(diphenylcarbamoylamino)-3-[4-(3-keto-5-methoxy-2-methyl-pyridazin-4-yl)phenyl]propionic acid Formula: C28H26N4O5 MolecularWeight: 498.52984

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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(C3=CC=CC=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(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O5/c1-31-26(33)25(24(37-2)18-29-31)20-15-13-19(14-16-20)17-23(27(34)35)30-28(36)32(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,18,23H,17H2,1-2H3,(H,30,36)(H,34,35)/t23-/m0/s1