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

Properties Image MNX_ID MNXM147772 reference metacycM:CPD-17050 formula C12H12N2O3S2 global charge 0 mol weight 296.373 InChIKey POIIJAAGMGNXLO-RYUDHWBXSA-N InChI InChI=1S/C12H12N2O3S2/c15-7-12-10(17)13-11(18-19-12,9(16)14-12)6-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H,13,17)(H,14,16)/t11-,12-/m0/s1 SMILES O=C1N[C@@]2(CC3=CC=CC=C3)SS[C@]1(CO)NC2=O MNX internals InChI (mnx) InChI=1/C12H12N2O3S2/c15-7-12-10(17)13-11(18-19-12,9(16)14-12)6-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H,13,17)(H,14,16)/t11-,12-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][C@:11]23[C:9]([OH:16])=[N:14][C@:12]([CH2:7][OH:15])([C:10]([OH:17])=[N:13]2)[S:19][S:18]3)[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