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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((3-carboxy-3-(4-(1-methylethoxy)phenyl)-1-oxopropyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-
RN: 60947-80-0
InChIKey: ILKZKBAIDNUWCM-NPVYPNSJSA-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-3-(4-(1-methylethoxy)phenyl)-1-oxopropyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 60947-80-0

System Generated Number

  • 0060947800

Structure Descriptors

InChI

1S/C21H26N2O7S/c1-10(2)30-12-7-5-11(6-8-12)13(19(26)27)9-14(24)22-15-17(25)23-16(20(28)29)21(3,4)31-18(15)23/h5-8,10,13,15-16,18H,9H2,1-4H3,(H,22,24)(H,26,27)(H,28,29)/t13?,15-,16+,18-/m1/s1

InChIKey

ILKZKBAIDNUWCM-NPVYPNSJSA-N

Smiles

CC(C)Oc1ccc(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.