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Concept information

Preferred term

N [[(4R,5R) 8 (1 cyclopentenyl) 2 [(2R) 1 hydroxypropan 2 yl] 4 methyl 1,1 dioxo 4,5 dihydro 3H 6,1$l^/{6/},2 benzoxathiazocin 5 yl]methyl] N methylbenzami  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C27H34N2O5S

inchi

  • InChI=1S/C27H34N2O5S/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/h4-6,9,11-15,19-20,25,30H,7-8,10,16-18H2,1-3H3/t19-,20-,25+/m1/s1

inchikey

  • UFCPYRWCPDLGEX-FHAGJXEFSA-N

mass

  • 498.636

monoisotopicmass

  • 498.21884

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@H]1CN(C)C(=O)C4=CC=CC=C4)[C@H](C)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127582

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