3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)-diketopiperazine

Properties Image MNX_ID MNXM147769 reference metacycM:CPD-17048 formula C18H24N4O7S2 global charge 0 mol weight 472.545 InChIKey ZPOFJAVUXVOPNI-YDOWWZDFSA-N InChI InChI=1S/C18H24N4O7S2/c19-11(13(24)25)7-30-17(6-10-4-2-1-3-5-10)15(28)22-18(9-23,16(29)21-17)31-8-12(20)14(26)27/h1-5,11-12,23H,6-9,19-20H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)/t11-,12-,17+,18+/m0/s1 SMILES [NH3+][C@@H](CS[C@@]1(CO)NC(=O)[C@@](CC2=CC=CC=C2)(SC[C@H]([NH3+])C(=O)[O-])NC1=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H24N4O7S2/c19-11(13(24)25)7-30-17(6-10-4-2-1-3-5-10)15(28)22-18(9-23,16(29)21-17)31-8-12(20)14(26)27/h1-5,11-12,23H,6-9,19-20H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)/t11-,12-,17+,18+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:10]([CH2:6][C@@:17]2([S:30][CH2:7][C@@H:11]([C:13](=[O:24])[OH:25])[NH2:19])[C:15]([OH:28])=[N:22][C@:18]([CH2:9][OH:23])([S:31][CH2:8][C@@H:12]([C:14](=[O:26])[OH:27])[NH2:20])[C:16]([OH:29])=[N:21]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