compound 0055023

Properties Image MNX_ID MNXM1181185 reference envipathM:...5374057ff23d formula C17H19N3O7S global charge 0 mol weight 409.42 InChIKey JBXPDRARLKTTCI-UHFFFAOYSA-N InChI InChI=1S/C17H19N3O7S/c1-8-11(18-5-9(6-21)16(8)27-3)7-28(24,25)17-19-10-4-12(26-2)14(22)15(23)13(10)20-17/h4-5,21-23H,6-7H2,1-3H3,(H,19,20) SMILES COC1=C(O)C(O)=C2N=C(S(=O)(=O)CC3=C(C)C(OC)=C(CO)C=N3)NC2=C1 MNX internals InChI (mnx) InChI=1/C17H19N3O7S/c1-8-11(18-5-9(6-21)16(8)27-3)7-28(24,25)17-19-10-4-12(26-2)14(22)15(23)13(10)20-17/h4-5,21-23H,6-7H2,1-3H3,(H,19,20) SMILES (mnx) [CH3:1][C:8]1=[C:16]([O:27][CH3:3])[C:9]([CH2:6][OH:21])=[CH:5][N:18]=[C:11]1[CH2:7][S:28]([C:17]1=[N:19][C:10]2=[CH:4][C:12]([O:26][CH3:2])=[C:14]([OH:22])[C:15]([OH:23])=[C:13]2[NH:20]1)(=[O:24])=[O:25]

Parent-child relations graph

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