05W

?

Summary

Name:(2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol
Formula:C9 H21 N O2
Formal charge:0
Molecular weight:175.269 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6(2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9+/m1/s1
InChIKeyInChI1.03GUNDRKRTYHTHOS-VGMNWLOBSA-N
SMILES_CANONICALCACTVS3.370CC(C)C[C@H](N)[C@@H](O)[C@H](C)CO
SMILESCACTVS3.370CC(C)C[CH](N)[CH](O)[CH](C)CO
SMILES_CANONICALOpenEye OEToolkits1.7.6C[C@H](CO)[C@@H]([C@H](CC(C)C)N)O
SMILESOpenEye OEToolkits1.7.6CC(C)CC(C(C(C)CO)O)N
171588
PDB entries from 2020-11-25