(2R)-4-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]pentanoic acid

Systemtic Name: (2R)-4-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]pentanoic acid Openeye Name: (2R)-4-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]pentanoic acid CAS Name: (2R)-4-methyl-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]pentanoic acid IUPAC Name: (2R)-4-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]pentanoic acid Traditional Name: (2R)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-4-methyl-valeric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CC1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)C[C@H](C(=O)O)NC(=O)CC1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H19N3O4/c1-9(2)7-13(16(22)23)17-14(20)8-12-10-5-3-4-6-11(10)15(21)19-18-12/h3-6,9,13H,7-8H2,1-2H3,(H,17,20)(H,19,21)(H,22,23)/t13-/m1/s1