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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > saroclazine a
organooxygen compound > saroclazine a

Preferred term

saroclazine a  

Type

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

Broader concept

charge

  • 0

formula

  • C19H26N2O3S2

has_functional_parent

inchi

  • InChI=1S/C19H26N2O3S2/c1-13(2)10-11-24-15-8-6-14(7-9-15)12-19(26-5)18(23)20-16(25-4)17(22)21(19)3/h6-10,16H,11-12H2,1-5H3,(H,20,23)/t16-,19-/m1/s1

inchikey

  • NMQSSHOBHPHGEF-VQIMIIECSA-N

mass

  • 394.550

monoisotopicmass

  • 394.13849

smiles

  • S([C@]1(N(C(=O)[C@@H](SC)NC1=O)C)CC2=CC=C(OCC=C(C)C)C=C2)C

subset

  • 2_STAR

synonym EXACT

  • (3R,6R)-1-methyl-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218558

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