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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((3-carboxy-1-oxo-4-(4-propoxyphenyl)butyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-
RN: 60947-85-5
InChIKey: USIALKVUDZIQSQ-KQINYMNHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O7-S

Molecular Weight

  • 464.5362
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 60947-85-5

System Generated Number

  • 0060947855

Structure Descriptors

InChI

1S/C22H28N2O7S/c1-4-9-31-14-7-5-12(6-8-14)10-13(20(27)28)11-15(25)23-16-18(26)24-17(21(29)30)22(2,3)32-19(16)24/h5-8,13,16-17,19H,4,9-11H2,1-3H3,(H,23,25)(H,27,28)(H,29,30)/t13?,16-,17+,19-/m1/s1

InChIKey

USIALKVUDZIQSQ-KQINYMNHSA-N

Smiles

CCCOc1ccc(cc1)CC(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.