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

Systemtic Name: (2S)-3-methyl-2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]butanoate Openeye Name: (2S)-2-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]butanoate IUPAC Name: (2S)-2-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-3-methyl-butyrate Formula: C21H20N3O4- MolecularWeight: 378.4012

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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)/p-1/t17-/m0/s1