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Substance Name: XML 2
RN: 148091-75-2
InChIKey: SUTJFACQYOCLNG-UHFFFAOYSA-N

Note

  • A dimer of penicillin X methyl ester.

Molecular Weight

  • 726.8242
 
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Names and Synonyms

Name of Substance

  • XML 2

Synonyms

  • XML 3
  • XML-2

Registry Numbers

CAS Registry Number

  • 148091-75-2

System Generated Number

  • 0148091752

Structure Descriptors

InChI

1S/C34H38N4O10S2/c1-32(2)24(30(44)46-5)37-26(42)22(28(37)49-32)35-20(40)12-15-7-8-17-18(11-15)48-19-13-16(39)9-10-34(17,19)14-21(41)36-23-27(43)38-25(31(45)47-6)33(3,4)50-29(23)38/h7-11,19,22-25,28-29H,12-14H2,1-6H3,(H,35,40)(H,36,41)

InChIKey

SUTJFACQYOCLNG-UHFFFAOYSA-N

Smiles

COC(=O)C1N2C(SC1(C)C)C(NC(=O)Cc3ccc4c(OC5CC(=O)C=CC45CC(=O)NC6C7SC(C)(C)C(N7C6=O)C(=O)OC)c3)C2=O