H6B

?

Summary

Name:(1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid
Formula:C8 H13 N O5
Formal charge:0
Molecular weight:203.193 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H13NO5/c1-9-3-2(8(13)14)5(10)7(12)6(11)4(3)9/h2-7,10-12H,1H3,(H,13,14)/t2-,3-,4-,5-,6+,7+,9+/m1/s1
InChIKeyInChI1.03UUIBNQLYUYNUOZ-FKAYCGLJSA-N
SMILES_CANONICALCACTVS3.385CN1[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H]([C@@H]12)C(O)=O
SMILESCACTVS3.385CN1[CH]2[CH](O)[CH](O)[CH](O)[CH]([CH]12)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]2C(=O)O)O)O)O
SMILESOpenEye OEToolkits2.0.6CN1C2C1C(C(C(C2C(=O)O)O)O)O
PDBj@FacebookPDBj@TwitterwwPDBwwPDB Foundation

Copyright © 2013-2019 Protein Data Bank Japan