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Concept information

Preferred term

N [[(2S,3R) 8 (dimethylamino) 5 [(2R) 1 hydroxypropan 2 yl] 3 methyl 6 oxo 3,4 dihydro 2H 1,5 benzoxazocin 2 yl]methyl] N,1 dimethyl 4 imidazolesulfonamide  

Type

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

charge

  • 0

formula

  • C22H33N5O5S

inchi

  • InChI=1S/C22H33N5O5S/c1-15-10-27(16(2)13-28)22(29)18-9-17(24(3)4)7-8-19(18)32-20(15)11-26(6)33(30,31)21-12-25(5)14-23-21/h7-9,12,14-16,20,28H,10-11,13H2,1-6H3/t15-,16-,20-/m1/s1

inchikey

  • IMQZVRHTFBCMDC-JXXFODFXSA-N

mass

  • 479.595

monoisotopicmass

  • 479.22024

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124883

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