Concept information
Preferred term
N [[(4S,5R) 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]methylxane] N methylamidehex
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C27H40N2O5S
inchi
- InChI=1S/C27H40N2O5S/c1-19-16-29(20(2)18-30)35(32,33)26-14-13-23(21-9-7-8-10-21)15-24(26)34-25(19)17-28(3)27(31)22-11-5-4-6-12-22/h9,13-15,19-20,22,25,30H,4-8,10-12,16-18H2,1-3H3/t19-,20-,25-/m0/s1
inchikey
- BAVJOCCOTRWQAG-RLSLOFABSA-N
mass
- 504.684
monoisotopicmass
- 504.26579
smiles
- C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)C(=O)C4CCCCC4)[C@@H](C)CO
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:129624
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