[(4S,5R)-5-[[(S)-tert-butylsulfinyl]amino]-4-oxidanyl-6-phenylmethoxy-hexyl] 2,2-dimethylpropanoate

Systemtic Name: [(4S,5R)-5-[[(S)-tert-butylsulfinyl]amino]-4-oxidanyl-6-phenylmethoxy-hexyl] 2,2-dimethylpropanoate Openeye Name: [(4S,5R)-6-benzyloxy-5-[[(S)-tert-butylsulfinyl]amino]-4-hydroxy-hexyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(4S,5R)-5-[[(S)-tert-butylsulfinyl]amino]-4-hydroxy-6-phenylmethoxyhexyl] ester IUPAC Name: [(4S,5R)-5-[[(S)-tert-butylsulfinyl]amino]-4-hydroxy-6-phenylmethoxyhexyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(4S,5R)-6-benzoxy-5-[[(S)-tert-butylsulfinyl]amino]-4-hydroxy-hexyl] ester Formula: C22H37NO5S MolecularWeight: 427.59788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCC(C(COCC1=CC=CC=C1)NS(=O)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C(=O)OCCC[C@@H]([C@@H](COCC1=CC=CC=C1)N[S@@](=O)C(C)(C)C)O

InChI

InChI=1S/C22H37NO5S/c1-21(2,3)20(25)28-14-10-13-19(24)18(23-29(26)22(4,5)6)16-27-15-17-11-8-7-9-12-17/h7-9,11-12,18-19,23-24H,10,13-16H2,1-6H3/t18-,19+,29+/m1/s1