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Concept information

ترکیب اکسیژن ارگانیک > کربوکسامید > کربوکسامید سوم > N [[(4S,5R) 2 [(2R) 1 hydroxypropan 2 yl] 4 methyl 8 (4 methylpent 1 ynyl) 1,1 dioxo 4,5 dihydro 3H 6,1$l^/{6/}, 2 benzoxathiazocin 5 yl]methylpent 1 ynyl

Preferred term

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

Type

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

charge

  • 0

formula

  • C26H34N4O5S

inchi

  • InChI=1S/C26H34N4O5S/c1-18(2)7-6-8-21-9-10-25-23(13-21)35-24(16-29(5)26(32)22-14-27-11-12-28-22)19(3)15-30(20(4)17-31)36(25,33)34/h9-14,18-20,24,31H,7,15-17H2,1-5H3/t19-,20+,24-/m0/s1

inchikey

  • ALBVOUUIQWHTKA-ROKPMTFOSA-N

mass

  • 514.639

monoisotopicmass

  • 514.22499

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC(C)C)O[C@H]1CN(C)C(=O)C3=NC=CN=C3)[C@H](C)CO

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96462

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