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

Systemtic Name: (2S)-3-methyl-2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]butanoic acid IUPAC Name: (2S)-2-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-3-methyl-butyric acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

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