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Concept information

Preferred term

OA 6129 C  

Type

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

Broader concept

charge

  • 0

formula

  • C20H31N3O11S2

inchi

  • InChI=1S/C20H31N3O11S2/c1-10(34-36(31,32)33)14-11-8-12(15(19(29)30)23(11)18(14)28)35-7-6-21-13(25)4-5-22-17(27)16(26)20(2,3)9-24/h10-11,14,16,24,26H,4-9H2,1-3H3,(H,21,25)(H,22,27)(H,29,30)(H,31,32,33)/t10-,11+,14-,16-/m0/s1

inchikey

  • GRWWKENHBQJAML-VAECKANCSA-N

mass

  • 553.600

monoisotopicmass

  • 553.14000

smiles

  • S(C=1C[C@]2(N(C(=O)[C@]2([C@@H](OS(O)(=O)=O)C)[H])C1C(O)=O)[H])CCNC(=O)CCNC(=O)[C@H](O)C(CO)(C)C

subset

  • 2_STAR

synonym EXACT

  • (5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulanyl]-7-oxo-6-[(1S)-1-sulooxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176934

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