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

Systemtic Name: (2S,3R)-3-methyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]pentanoate Openeye Name: (2S,3R)-3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]pentanoate Traditional Name: (2S,3R)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-3-methyl-valerate Formula: C16H18N3O4- MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-3-9(2)14(16(22)23)17-13(20)8-12-10-6-4-5-7-11(10)15(21)19-18-12/h4-7,9,14H,3,8H2,1-2H3,(H,17,20)(H,19,21)(H,22,23)/p-1/t9-,14+/m1/s1