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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((3-carboxy-4-(4-ethoxyphenyl)-1-oxobutyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-
RN: 60947-84-4
InChIKey: GPQLHNLLRYTZIW-NZHQHIMKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O7-S

Molecular Weight

  • 450.5094
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 60947-84-4

System Generated Number

  • 0060947844

Structure Descriptors

InChI

1S/C21H26N2O7S/c1-4-30-13-7-5-11(6-8-13)9-12(19(26)27)10-14(24)22-15-17(25)23-16(20(28)29)21(2,3)31-18(15)23/h5-8,12,15-16,18H,4,9-10H2,1-3H3,(H,22,24)(H,26,27)(H,28,29)/t12?,15-,16+,18-/m1/s1

InChIKey

GPQLHNLLRYTZIW-NZHQHIMKSA-N

Smiles

CCOc1ccc(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.