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

Systemtic Name: methyl (2R,3S)-3-methyl-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]pentanoate Openeye Name: methyl (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]pentanoic acid methyl ester IUPAC Name: methyl (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-valeric acid methyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-4-9(2)12(16(22)23-3)17-15(21)13-10-7-5-6-8-11(10)14(20)19-18-13/h5-9,12H,4H2,1-3H3,(H,17,21)(H,19,20)/t9-,12+/m0/s1