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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 > eutypellazine n
organooxygen compound > eutypellazine n

Preferred term

eutypellazine n  

Type

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

Broader concept

charge

  • 0

formula

  • C19H20N2O3S2

has_functional_parent

inchi

  • InChI=1S/C19H20N2O3S2/c1-25-18(10-12-6-3-2-4-7-12)16(23)21-19(17(24)20-18)11-13-8-5-9-14(22)15(13)26-19/h2-9,14-15,22H,10-11H2,1H3,(H,20,24)(H,21,23)/t14-,15-,18+,19+/m0/s1

inchikey

  • GPTODGSXTKNMCC-ILRDRHFLSA-N

mass

  • 388.500

monoisotopicmass

  • 388.09153

smiles

  • S1[C@]2(NC(=O)[C@](SC)(CC3=CC=CC=C3)NC2=O)CC=4[C@H]1[C@@H](O)C=CC4

subset

  • 2_STAR

synonym EXACT

  • (2R,3'R,7S,7aS)-3'-benzyl-7-hydroxy-3'-methylsulanylspiro[7,7a-dihydro-3H-1-benzothiophene-2,6'-piperazine]-2',5'-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217687

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