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Concept information

Preferred term

بیسی بوتیامین  

Type

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

charge

  • 0

formula

  • C32H46N8O6S2

inchi

  • InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+

inchikey

  • CKHJPWQVLKHBIH-GPAWKIAZSA-N

mass

  • 702.891

monoisotopicmass

  • 702.29817

smiles

  • CC(C)C(=O)OCC/C(SS/C(CCOC(=O)C(C)C)=C(/C)N(Cc1cnc(C)nc1N)C=O)=C(/C)N(Cc1cnc(C)nc1N)C=O

subset

  • 2_STAR

synonym EXACT

  • Bisibuthiamine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31290

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