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

Systemtic Name: (2S)-4-methyl-2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]pentanoic acid Traditional Name: (2S)-2-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]-4-methyl-valeric acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-13(2)12-17(21(27)28)22-19(25)18-15-10-6-7-11-16(15)20(26)24(23-18)14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3,(H,22,25)(H,27,28)/t17-/m0/s1