Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

LSM-13216

PropertiesImageOccurences in reactions
MNX_IDMNXM528598Image of MNXM528598
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC27H34N4O5S
charge0
mass526.22499
referencechebi:101855
InChIKeyJSYMGQYFJZOBEJ-DFIYOIEZSA-N
InChIInChI=1S/C27H34N4O5S/c1-19-13-31(20(2)16-32)27(33)24-12-8-7-11-23(24)22-10-6-5-9-21(22)17-36-25(19)14-30(4)37(34,35)26-15-29(3)18-28-26/h5-12,15,18-20,25,32H,13-14,16-17H2,1-4H3/t19-,20+,25-/m0/s1
SMILESC[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1cn(C)cn1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:101855
chebi:101855 		LSM-13216