Concept information
Preferred term
N [[(4S,5S) 8 (1 cyclopentenyl) 2 [(2S) 1 hydroxypropan 2 yl] 4 methyl 1,1 dioxo 4,5 dihydro 3H 6,1$l^/{6/},2 benzoxathiazocin 5 yl]methyl] N methylpropanamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C23H34N2O5S
inchi
- InChI=1S/C23H34N2O5S/c1-5-23(27)24(4)14-21-16(2)13-25(17(3)15-26)31(28,29)22-11-10-19(12-20(22)30-21)18-8-6-7-9-18/h8,10-12,16-17,21,26H,5-7,9,13-15H2,1-4H3/t16-,17-,21+/m0/s1
inchikey
- NEJRRDNCCIILSE-XGHQBKJUSA-N
mass
- 450.593
monoisotopicmass
- 450.21884
smiles
- CCC(=O)N(C)C[C@@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCC3)[C@@H](C)CO)C
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:125871
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