nchembio.146-comp11; N-Methyl aspartic acid; N-Methyl-L-aspartic acid; (S)-2-(Methylamino)succinic acid; L-Aspartic acid, N-methyl- (9CI)
Molecular Formula: C5H9NO4
Natural Isotopic Abundance Mass: 147.12926
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
PubChem Compound (CID): 92982Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)