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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 > penicibrocazine e
organooxygen compound > penicibrocazine e

Preferred term

penicibrocazine e  

Type

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

Broader concept

charge

  • 0

formula

  • C20H24N2O6S2

has_functional_parent

inchi

  • InChI=1S/C20H24N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3,5,9-10,13-16,25-26H,4,6-8H2,1-2H3/t9-,10+,13+,14-,15+,16+,19+,20+/m0/s1

inchikey

  • QOXQVMHGUNMPOZ-BHACCYINSA-N

mass

  • 452.540

monoisotopicmass

  • 452.10758

smiles

  • S([C@@]12N(C(=O)[C@]3(SC)C[C@H]4[C@@H](N3C1=O)[C@@H](O)CCC4=O)[C@H]5[C@H](O)C=CC([C@@H]5C2)=O)C

subset

  • 2_STAR

synonym EXACT

  • (1R,4R,5R,9R,11R,14R,15S,19S)-5,15-dihydroxy-1,11-bis(methylsulanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icos-6-ene-2,8,12,18-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199366

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