2-[[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[(2S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]ethanesulfonic acid CAS Name: 2-[[[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidine-2-carbonyl]amino]ethanesulfonic acid Traditional Name: 2-[[(2S,4S,5R)-4-hydroxy-5-methylol-prolyl]amino]ethanesulfonic acid Formula: C8H16N2O6S MolecularWeight: 268.28744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(NC1C(=O)NCCS(=O)(=O)O)CO)O

Isomeric SMILES

C1[C@@H]([C@H](N[C@@H]1C(=O)NCCS(=O)(=O)O)CO)O

InChI

InChI=1S/C8H16N2O6S/c11-4-6-7(12)3-5(10-6)8(13)9-1-2-17(14,15)16/h5-7,10-12H,1-4H2,(H,9,13)(H,14,15,16)/t5-,6+,7-/m0/s1