Concept information
Preferred term
n-[[(4r,5r)-2-[(2s)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-n-methyl-4-oxanecarboxamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H38N2O7S
inchi
- InChI=1S/C28H38N2O7S/c1-19-16-30(20(2)18-31)38(33,34)27-9-8-23(22-6-5-7-24(14-22)35-4)15-25(27)37-26(19)17-29(3)28(32)21-10-12-36-13-11-21/h5-9,14-15,19-21,26,31H,10-13,16-18H2,1-4H3/t19-,20+,26+/m1/s1
inchikey
- HDWGWTYDTDHGLT-GOHWNWGWSA-N
mass
- 546.678
monoisotopicmass
- 546.23997
smiles
- C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC(=CC=C3)OC)O[C@H]1CN(C)C(=O)C4CCOCC4)[C@@H](C)CO
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:96366
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