(2R,3S)-3-methyl-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]pentanoate

Systemtic Name: (2R,3S)-3-methyl-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]pentanoate Openeye Name: (2R,3S)-3-methyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]pentanoate IUPAC Name: (2R,3S)-3-methyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoate Traditional Name: (2R,3S)-2-[(4-keto-3H-phthalazine-1-carbonyl)amino]-3-methyl-valerate Formula: C15H16N3O4- MolecularWeight: 302.30524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)[O-])NC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C15H17N3O4/c1-3-8(2)11(15(21)22)16-14(20)12-9-6-4-5-7-10(9)13(19)18-17-12/h4-8,11H,3H2,1-2H3,(H,16,20)(H,18,19)(H,21,22)/p-1/t8-,11+/m0/s1