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

Systemtic Name: (2S)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]pentanedioate Openeye Name: (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]pentanedioate CAS Name: (2S)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]pentanedioate IUPAC Name: (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]glutarate Formula: C15H13N3O6-2 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C15H15N3O6/c19-12(16-10(15(23)24)5-6-13(20)21)7-11-8-3-1-2-4-9(8)14(22)18-17-11/h1-4,10H,5-7H2,(H,16,19)(H,18,22)(H,20,21)(H,23,24)/p-2/t10-/m0/s1