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Concept information

Preferred term

OA 6129 D  

Type

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

Broader concept

charge

  • 0

formula

  • C20H33N3O8S

inchi

  • InChI=1S/C20H33N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-12,14-16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10?,11-,12+,14+,15-,16+/m1/s1

inchikey

  • IDHUQZYNJINFBS-VWLVWCDXSA-N

mass

  • 475.558

monoisotopicmass

  • 475.19884

smiles

  • N12[C@@]([C@](C(C)O)(C1=O)[H])(C[C@@H]([C@@H]2C(O)=O)SCCNC(CCNC([C@@H](C(CO)(C)C)O)=O)=O)[H]

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,5R,6R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:81042

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