3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine

Properties Image MNX_ID MNXM147773 reference metacycM:CPD-17049 formula C12H14N2O3S2 global charge 0 mol weight 298.389 InChIKey VZGSJJJQZPTKGR-VXGBXAGGSA-N InChI InChI=1S/C12H14N2O3S2/c15-7-12(19)10(17)13-11(18,9(16)14-12)6-8-4-2-1-3-5-8/h1-5,15,18-19H,6-7H2,(H,13,17)(H,14,16)/t11-,12-/m1/s1 SMILES O=C1N[C@@](S)(CC2=CC=CC=C2)C(=O)N[C@@]1(S)CO MNX internals InChI (mnx) InChI=1/C12H14N2O3S2/c15-7-12(19)10(17)13-11(18,9(16)14-12)6-8-4-2-1-3-5-8/h1-5,15,18-19H,6-7H2,(H,13,17)(H,14,16)/t11-,12-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][C@@:11]2([SH:18])[C:9]([OH:16])=[N:14][C@:12]([CH2:7][OH:15])([SH:19])[C:10]([OH:17])=[N:13]2)[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0