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Substance Name: EINECS 254-263-3
RN: 39050-96-9
InChIKey: HBKNADYQBSYSCB-GJUCOGTPSA-N

Molecular Formula

  • C16-H19-N3-O4-S.C7-H8-O5-S

Molecular Weight

  • 553.6103
 
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Names and Synonyms

Results Name

  • EINECS 254-263-3

Synonym

  • EINECS 254-263-3

Systematic Name

  • (2S-(2alpha,5alpha,6beta(S*)))-6-((Aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid mono(hydroxymethoxybenzenesulphonate)

Registry Numbers

CAS Registry Number

  • 39050-96-9

System Generated Number

  • 0039050969

Molecular Formulas

Molecular Formula

  • C16-H19-N3-O4-S.C7-H8-O5-S

Molecular Formula Fragments

  • C16-H19-N3-O4-S
  • C7-H8-O5-S
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19N3O4S.C7H8O5S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;8-5-12-6-3-1-2-4-7(6)13(9,10)11/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);1-4,8H,5H2,(H,9,10,11)/t9?,10-,11+,14-;/m1./s1

InChIKey

HBKNADYQBSYSCB-GJUCOGTPSA-N

Smiles

N12[C@@H]([C@@H](C1=O)NC(=O)C(c1ccccc1)N)SC([C@@H]2C(=O)O)(C)C.S(=O)(=O)(c1c(OCO)cccc1)O