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Substance Name: Penicillin Et(NH)2 dimer
RN: 142762-73-0
InChIKey: YPQFZEWXZJFGOG-HTCODBRUSA-N

Molecular Formula

  • C38-H54-N8-O6-S2

Molecular Weight

  • 783.0266
 
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Names and Synonyms

Results Name

  • Penicillin Et(NH)2 dimer

Synonyms

  • (2R-(2alpha(R),4beta))-4,4'-(1,2-Ethanediylbis(aminocarbonyl))bis(N-ethyl-5,5-dimethyl-alpha-((phenylacetyl)amino)-2-thiazolidineacetamide)
  • C2-sym dimer
  • Penicillin Et(NH)2 dimer
  • Penicillin G

Systematic Name

  • 2-Thiazolidineacetamide, 4,4'-(1,2-ethanediylbis(iminocarbonyl))bis(N-ethyl-5,5-dimethyl-alpha-((phenylacetyl)amino)-, (2R-(2alpha(R*),4beta(2'R*(R*),4'S*)))-

Registry Numbers

CAS Registry Number

  • 142762-73-0

System Generated Number

  • 0142762730

Structure Descriptors

InChI

1S/C38H54N8O6S2/c1-7-39-31(49)27(43-25(47)21-23-15-11-9-12-16-23)35-45-29(37(3,4)53-35)33(51)41-19-20-42-34(52)30-38(5,6)54-36(46-30)28(32(50)40-8-2)44-26(48)22-24-17-13-10-14-18-24/h9-18,27-30,35-36,45-46H,7-8,19-22H2,1-6H3,(H,39,49)(H,40,50)(H,41,51)(H,42,52)(H,43,47)(H,44,48)/t27-,28-,29+,30+,35-,36-/m1/s1

InChIKey

YPQFZEWXZJFGOG-HTCODBRUSA-N

Smiles

CCNC(=O)[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)NCCNC(=O)[C@H]2C(S[C@@H](N2)[C@@H](C(=O)NCC)NC(=O)Cc3ccccc3)(C)C)NC(=O)Cc4ccccc4