Concept information
Preferred term
1 [2 [(4R,5R) 2 [(2S) 1 hydroxypropan 2 yl] 4 methyl 5 (methylaminomethyl) 1,1 dioxo 4,5 dihydro 3H 6,1$l^/{6/},2 benzoxathiazocin 8 yl]etynyl] 1 cyclopentol
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C22H32N2O5S
inchi
- InChI=1S/C22H32N2O5S/c1-16-14-24(17(2)15-25)30(27,28)21-7-6-18(8-11-22(26)9-4-5-10-22)12-19(21)29-20(16)13-23-3/h6-7,12,16-17,20,23,25-26H,4-5,9-10,13-15H2,1-3H3/t16-,17+,20+/m1/s1
inchikey
- LZCYHHOYYPSMEH-UWVAXJGDSA-N
mass
- 436.567
monoisotopicmass
- 436.20319
smiles
- C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3(CCCC3)O)O[C@H]1CNC)[C@@H](C)CO
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:96147
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