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Concept information

Preferred term

(3R,5S) 2,3,5,6,7 pentahydro 1,4 thiazepine 3,5 dicarboxylate(1)  

Type

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

charge

  • -1

formula

  • C7H10NO4S

inchi

  • InChI=1S/C7H11NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/p-1/t4-,5-/m0/s1

inchikey

  • IGBAFIMATACJON-WHFBIAKZSA-M

mass

  • 204.220

monoisotopicmass

  • 204.03360

smiles

  • S1CC[C@H]([NH2+][C@@H](C1)C([O-])=O)C([O-])=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176810

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