(3R,5S)-2,3,5,6,7-pentahydro-1,4-thiazepine-3,5-dicarboxylate

Properties Image MNX_ID MNXM1129641 reference chebi:176810 formula C7H10NO4S global charge -1 mol weight 204.227 InChIKey IGBAFIMATACJON-WHFBIAKZSA-M InChI InChI=1S/C7H11NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/p-1/t4-,5-/m0/s1 SMILES O=C([O-])[C@@H]1CCSC[C@@H](C(=O)[O-])[NH2+]1 MNX internals InChI (mnx) InChI=1/C7H11NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][S:13][CH2:3][C@@H:5]([C:7](=[O:11])[OH:12])[NH:8][C@@H:4]1[C:6](=[O:9])[OH:10]

Parent-child relations graph

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