4-nitrophenyl-3-ketovalidamine

Properties Image MNX_ID MNXM4694 reference chebi:15984 formula C13H16N2O6 global charge 0 mol weight 296.279 InChIKey JYWZXKMMEIJNKK-IGCXTIMSSA-N InChI InChI=1S/C13H16N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-12,14,16-18H,5-6H2/t7-,10+,11-,12+/m1/s1 SMILES O=C1[C@@H](O)[C@@H](NC2=CC=C([N+](=O)[O-])C=C2)C[C@H](CO)[C@H]1O MNX internals InChI (mnx) InChI=1/C13H16N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-12,14,16-18H,5-6H2/t7-,10+,11-,12+/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:9]([N+:15]([O-:20])=[O:21])=[CH:4][CH:2]=[C:8]1[NH:14][C@H:10]1[CH2:5][C@H:7]([CH2:6][OH:16])[C@@H:11]([OH:17])[C:13](=[O:19])[C@H:12]1[OH:18]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0