5-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 5-[[(2S,3S)-2-ammonio-3-methyl-pentanoyl]amino]-4-keto-3H-phthalazin-1-olate Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=CC2=C1C(=O)NN=C2[O-])[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=CC2=C1C(=O)NN=C2[O-])[NH3+]

InChI

InChI=1S/C14H18N4O3/c1-3-7(2)11(15)14(21)16-9-6-4-5-8-10(9)13(20)18-17-12(8)19/h4-7,11H,3,15H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)/t7-,11-/m0/s1