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Substance Name: XML 1
RN: 145497-68-3
InChIKey: IQZAVEYGRUPQEF-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 1

Synonym

  • XML-1

Registry Numbers

CAS Registry Number

  • 145497-68-3

System Generated Number

  • 0145497683

Structure Descriptors

InChI

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

InChIKey

IQZAVEYGRUPQEF-UHFFFAOYSA-N

Smiles

COC(=O)C1N2C(SC1(C)C)C(NC(=O)Cc3ccc(O)c(c3)c4cc(CC(=O)NC5C6SC(C)(C)C(N6C5=O)C(=O)OC)ccc4O)C2=O