3-methyl-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoic acid CAS Name: 3-methyl-2-[[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)anilino]-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoic acid Traditional Name: 2-[[5-(4-keto-3H-phthalazin-1-yl)-2-methyl-phenyl]carbamoylamino]-3-methyl-valeric acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)NC1=C(C=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C22H24N4O4/c1-4-12(2)18(21(28)29)24-22(30)23-17-11-14(10-9-13(17)3)19-15-7-5-6-8-16(15)20(27)26-25-19/h5-12,18H,4H2,1-3H3,(H,26,27)(H,28,29)(H2,23,24,30)