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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)N[C@@H](CC(C)C)C(=O)O

InChI

InChI=1S/C22H24N4O4/c1-12(2)10-18(21(28)29)24-22(30)23-17-11-14(9-8-13(17)3)19-15-6-4-5-7-16(15)20(27)26-25-19/h4-9,11-12,18H,10H2,1-3H3,(H,26,27)(H,28,29)(H2,23,24,30)/t18-/m0/s1