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IYV

Summary
Name:(2R,3R,4S,5R,6R)-2-[(1R,2R)-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol
Formula:C9 H19 N O5 S
Formal charge:0
Formula weight:253.316 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C9H19NO5S/c1-3(11)4(10)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,11-14H,10H2,1-2H3/t3-,4-,5+,6-,7-,8-,9-/m1/s1
InChIKeyInChI1.06AEEIMWYSDWZKAT-HJTGYUAHSA-N
SMILES_CANONICALCACTVS3.385CS[C@H]1O[C@H]([C@H](N)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.385CS[CH]1O[CH]([CH](N)[CH](C)O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)N)O
SMILESOpenEye OEToolkits2.0.7CC(C(C1C(C(C(C(O1)SC)O)O)O)N)O

221371

PDB entries from 2024-06-19

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