Isolecyl-Aspartate

Properties Image MNX_ID MNXM744756 reference biggM:ileasp formula C10H17N2O5 global charge -1 mol weight 245.255 InChIKey WKXVAXOSIPTXEC-KVWYPCGYSA-M InChI InChI=1S/C10H18N2O5/c1-3-5(2)8(11)9(15)12-6(10(16)17)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/p-1/t5?,6-,8+/m0/s1 SMILES CCC(C)[C@@H](N)C(=O)N[C@@H](CC(=O)[O-])C(=O)O MNX internals InChI (mnx) InChI=1/C10H18N2O5/c1-3-5(2)8(11)9(15)12-6(10(16)17)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t5?,6-,8+/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH:5]([CH3:2])[C@H:8]([C:9](=[N:12][C@@H:6]([CH2:4][C:7](=[O:13])[OH:14])[C:10](=[O:16])[OH:17])[OH:15])[NH2:11]

Parent-child relations graph

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