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Substance Name: Bacbenzylpenicillin
RN: 37660-97-2
InChIKey: LLOPNXSHSVOOOI-NZHQHIMKSA-N

Molecular Weight

  • 450.5094
 
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Names and Synonyms

Name of Substance

  • Bacbenzylpenicillin

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-, 1-((ethoxycarbonyl)oxy)ethyl ester

Registry Numbers

CAS Registry Number

  • 37660-97-2

System Generated Number

  • 0037660972

Structure Descriptors

InChI

1S/C21H26N2O7S/c1-5-28-20(27)30-12(2)29-19(26)16-21(3,4)31-18-15(17(25)23(16)18)22-14(24)11-13-9-7-6-8-10-13/h6-10,12,15-16,18H,5,11H2,1-4H3,(H,22,24)/t12?,15-,16+,18-/m1/s1

InChIKey

LLOPNXSHSVOOOI-NZHQHIMKSA-N

Smiles

CCOC(=O)OC(C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)Cc3ccccc3)C2=O