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Substance Name: Penicillin Et(NH)2 Sym dimer
RN: 142780-80-1
InChIKey: CMJNUODSZAGDEG-WBASAELKSA-N

Molecular Formula

  • C36-H48-N6-O8-S2

Molecular Weight

  • 756.9412
 
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Names and Synonyms

Results Name

  • Penicillin Et(NH)2 Sym dimer

Synonyms

  • (2R-(2alpha(R),4beta))-4,4'-(1,2-Ethanediylbis(aminocarbonyl))bis(5,5-dimethyl-alpha((phenylacetyl)amino)-2-thiazolidineacetic acid, methyl ester)
  • Penicillin Et(NH)2 Sym dimer

Systematic Name

  • 2-Thiazolidineacetic acid, 4,4'-(1,2-ethanediylbis(iminocarbonyl))bis(5,5-dimethyl-alpha-((phenylacetyl)amino)-, dimethyl ester, (2R-(2alpha(R*),4beta(2'R*(R*),4'S*)))-

Registry Numbers

CAS Registry Number

  • 142780-80-1

System Generated Number

  • 0142780801

Structure Descriptors

InChI

1S/C36H48N6O8S2/c1-35(2)27(41-31(51-35)25(33(47)49-5)39-23(43)19-21-13-9-7-10-14-21)29(45)37-17-18-38-30(46)28-36(3,4)52-32(42-28)26(34(48)50-6)40-24(44)20-22-15-11-8-12-16-22/h7-16,25-28,31-32,41-42H,17-20H2,1-6H3,(H,37,45)(H,38,46)(H,39,43)(H,40,44)/t25-,26-,27-,28-,31+,32+/m0/s1

InChIKey

CMJNUODSZAGDEG-WBASAELKSA-N

Smiles

CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC)NC(=O)Cc2ccccc2)C(=O)NCCNC(=O)[C@H]3C(S[C@@H](N3)[C@@H](C(=O)OC)NC(=O)Cc4ccccc4)(C)C)C