Concept information
Preferred term
N [[(4S,5R) 2 [(2R) 1 hydroxypropan 2 yl] 8 (2 methoxyphenyl) 4 methyl 1,1 dioxo 4,5 dihydro 3H 6,1$l^/{6/},2 benzoxathiazocin 5 yl]methylpyride n methylcarami 3
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H33N3O6S
has_functional_parent
inchi
- InChI=1S/C28H33N3O6S/c1-19-16-31(20(2)18-32)38(34,35)27-12-11-21(23-9-5-6-10-24(23)36-4)14-25(27)37-26(19)17-30(3)28(33)22-8-7-13-29-15-22/h5-15,19-20,26,32H,16-18H2,1-4H3/t19-,20+,26-/m0/s1
inchikey
- ZKVMCHGVVVSISB-UNVFRBQDSA-N
mass
- 539.645
monoisotopicmass
- 539.20901
smiles
- C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3OC)O[C@H]1CN(C)C(=O)C4=CN=CC=C4)[C@H](C)CO
subset
- 2_STAR
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:95969
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