(2S)-3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-3-methyl-butyrate Formula: C15H16N3O4- MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4/c1-8(2)13(15(21)22)16-12(19)7-11-9-5-3-4-6-10(9)14(20)18-17-11/h3-6,8,13H,7H2,1-2H3,(H,16,19)(H,18,20)(H,21,22)/p-1/t13-/m0/s1