(1S,2R,4S,6R)-6-(phenethylamino)cyclohexane-1,2,4-triol

Systemtic Name: (1S,2R,4S,6R)-6-(phenethylamino)cyclohexane-1,2,4-triol Openeye Name: (1S,2R,4S,6R)-6-(phenethylamino)cyclohexane-1,2,4-triol CAS Name: (1S,2R,4S,6R)-6-(phenethylamino)cyclohexane-1,2,4-triol IUPAC Name: (1S,2R,4S,6R)-6-(phenethylamino)cyclohexane-1,2,4-triol Traditional Name: (1S,2R,4S,6R)-6-(phenethylamino)cyclohexane-1,2,4-triol Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C(C1NCCC2=CC=CC=C2)O)O)O

Isomeric SMILES

C1[C@@H](C[C@H]([C@H]([C@@H]1NCCC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C14H21NO3/c16-11-8-12(14(18)13(17)9-11)15-7-6-10-4-2-1-3-5-10/h1-5,11-18H,6-9H2/t11-,12+,13+,14-/m0/s1