compound 0067348

Properties Image MNX_ID MNXM1271632 reference envipathM:...fcbebbfc8b27 formula C17H17N3O4S global charge 0 mol weight 359.407 InChIKey HXGVIKHUROPHII-KRWDZBQOSA-N InChI InChI=1S/C17H17N3O4S/c1-17(12-8-11(21)9-13(22)14(12)23)15(24)20(16(18-17)25-2)19-10-6-4-3-5-7-10/h3-9,19,21-23H,1-2H3/t17-/m0/s1 SMILES CSC1=N[C@@](C)(C2=CC(O)=CC(O)=C2O)C(=O)N1NC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C17H17N3O4S/c1-17(12-8-11(21)9-13(22)14(12)23)15(24)20(16(18-17)25-2)19-10-6-4-3-5-7-10/h3-9,19,21-23H,1-2H3/t17-/m0/s1 SMILES (mnx) [CH3:1][C@:17]1([C:12]2=[C:14]([OH:23])[C:13]([OH:22])=[CH:9][C:11]([OH:21])=[CH:8]2)[C:15](=[O:24])[N:20]([NH:19][C:10]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)[C:16]([S:25][CH3:2])=[N:18]1

Parent-child relations graph

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