compound 0055005

Properties Image MNX_ID MNXM1196173 reference envipathM:...24b196ffa75a formula C16H17N3O4S global charge 0 mol weight 347.396 InChIKey GWGQUJLGMZTPOT-UHFFFAOYSA-N InChI InChI=1S/C16H17N3O4S/c1-9-6-17-14(11(7-20)15(9)21)8-24(22)16-18-12-4-3-10(23-2)5-13(12)19-16/h3-6,20H,7-8H2,1-2H3,(H,17,21)(H,18,19) SMILES COC1=CC2=C(C=C1)N=C(S(=O)CC1=C(CO)C(O)=C(C)C=N1)N2 MNX internals InChI (mnx) InChI=1/C16H17N3O4S/c1-9-6-17-14(11(7-20)15(9)21)8-24(22)16-18-12-4-3-10(23-2)5-13(12)19-16/h3-6,20H,7-8H2,1-2H3,(H,17,21)(H,18,19)/t24? SMILES (mnx) [CH3:1][C:9]1=[CH:6][NH:17][C:14]([CH2:8][S:24]([C:16]2=[N:18][C:12]3=[C:13]([CH:5]=[C:10]([O:23][CH3:2])[CH:3]=[CH:4]3)[NH:19]2)=[O:22])=[C:11]([CH2:7][OH:20])[C:15]1=[O:21]

Parent-child relations graph

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