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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((3-carboxy-3-(4-ethoxyphenyl)-1-oxopropyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-
RN: 60975-30-6
InChIKey: NWQNPTYLFZHSCR-YYDPCCRISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O7-S

Molecular Weight

  • 436.4826
 
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Names and Synonyms

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((3-carboxy-3-(4-ethoxyphenyl)-1-oxopropyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 60975-30-6

System Generated Number

  • 0060975306

Structure Descriptors

InChI

1S/C20H24N2O7S/c1-4-29-11-7-5-10(6-8-11)12(18(25)26)9-13(23)21-14-16(24)22-15(19(27)28)20(2,3)30-17(14)22/h5-8,12,14-15,17H,4,9H2,1-3H3,(H,21,23)(H,25,26)(H,27,28)/t12?,14-,15+,17-/m1/s1

InChIKey

NWQNPTYLFZHSCR-YYDPCCRISA-N

Smiles

CCOc1ccc(cc1)C(CC(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 150mg/kg (150mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 760, 1976.