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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 > phaeosphaone b
organooxygen compound > phaeosphaone b

Preferred term

phaeosphaone b  

Type

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

Broader concept

charge

  • 0

formula

  • C20H27N3O3S2

has_functional_parent

inchi

  • InChI=1S/C20H27N3O3S2/c1-12(2)20(28-6)17(24)22-19(26-4,18(25)23(20)3)16(27-5)14-11-21-15-10-8-7-9-13(14)15/h7-12,16,21H,1-6H3,(H,22,24)/t16-,19+,20+/m1/s1

inchikey

  • MMJIEYVVWHZRDB-UXPWSPDFSA-N

mass

  • 421.570

monoisotopicmass

  • 421.14938

smiles

  • S([C@@]1(N(C(=O)[C@@](OC)([C@H](SC)C=2C3=C(C=CC=C3)NC2)NC1=O)C)C(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,6S)-3-[(R)-1H-indol-3-yl(methylsulanyl)methyl]-3-methoxy-1-methyl-6-methylsulanyl-6-propan-2-ylpiperazine-2,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224173

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