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Substance Name: Mdl 19592
RN: 55390-45-9
InChIKey: APIJQNGYGVYKQR-ZLXOECBPSA-N

Note

  • Semisynthetic cpd.

Molecular Formula

  • C17-H17-N3-O6-S

Molecular Weight

  • 391.4023
 
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Names and Synonyms

Name of Substance

  • Mdl 19592

Synonyms

  • Mdl-19,592
  • Rmi 19592

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino-1,3-benzodioxol-5-ylacetyl)amino)-3-methyl-8-oxo-, (6R-(6alpha,7beta))-

Registry Numbers

CAS Registry Number

  • 55390-45-9

System Generated Number

  • 0055390459

Structure Descriptors

InChI

1S/C17H17N3O6S/c1-7-5-27-16-12(15(22)20(16)13(7)17(23)24)19-14(21)11(18)8-2-3-9-10(4-8)26-6-25-9/h2-4,11-12,16H,5-6,18H2,1H3,(H,19,21)(H,23,24)/t11?,12-,16-/m1/s1

InChIKey

APIJQNGYGVYKQR-ZLXOECBPSA-N

Smiles

CC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)c3ccc4OCOc4c3)C2=O)C(=O)O