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DX-105

PropertiesImage
MNX_IDMNXM1137880 Image of MNXM1137880
referenceenvipathM:...5bb81f417137
formulaC12H14N4O5S
global charge0
mol weight326.334
InChIKeyZNPQZXKVOYZCOW-UHFFFAOYSA-N
InChIInChI=1S/C12H14N4O5S/c1-20-11(18)15-9(17)13-7-5-3-4-6-8(7)14-10(22)16-12(19)21-2/h3-6H,1-2H3,(H2,13,15,17,18)(H2,14,16,19,22)
SMILESCOC(=O)NC(=O)NC1=C(NC(=S)NC(=O)OC)C=CC=C1
MNX internals
InChI (mnx)InChI=1/C12H14N4O5S/c1-20-11(18)15-9(17)13-7-5-3-4-6-8(7)14-10(22)16-12(19)21-2/h3-6H,1-2H3,(H2,13,15,17,18)(H2,14,16,19,22) Image of MNXM1137880
SMILES (mnx)[CH3:1][O:20][C:11](=[N:15][C:9](=[N:13][C:7]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:8]1[N:14]=[C:10]([N:16]=[C:12]([OH:19])[O:21][CH3:2])[SH:22])[OH:17])[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...5bb81f417137
envipathM:...5bb81f417137
ZNPQZXKVOYZCOW-UHFFFAOYSA-N 		DX-105