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Substance Name: EINECS 260-806-5
RN: 57561-88-3
InChIKey: XKLYMECUXBBIJO-LGUFXXKBSA-N

Molecular Formula

  • C29-H27-N3-O10-S2

Molecular Weight

  • 641.675
 
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Names and Synonyms

Results Name

  • EINECS 260-806-5

Synonym

  • EINECS 260-806-5

Systematic Name

  • (4-Nitrophenyl)methyl (2R-(1(E),2alpha,3alpha))-alpha-(1-hydroxyethylidene)-4-oxo-3-((phenoxyacetyl)amino)-2-(((p-tolyl)sulphonyl)thio)azetidine-1-acetate

Registry Numbers

CAS Registry Number

  • 57561-88-3

System Generated Number

  • 0057561883

Structure Descriptors

InChI

1S/C29H27N3O10S2/c1-18-8-14-23(15-9-18)44(39,40)43-28-25(30-24(34)17-41-22-6-4-3-5-7-22)27(35)31(28)26(19(2)33)29(36)42-16-20-10-12-21(13-11-20)32(37)38/h3-15,25,28,33H,16-17H2,1-2H3,(H,30,34)/b26-19+

InChIKey

XKLYMECUXBBIJO-LGUFXXKBSA-N

Smiles

S(=O)(S[C@@H]1[C@@H](C(N1\C(=C(\O)C)C(OCc1ccc([N+]([O-])=O)cc1)=O)=O)NC(=O)COc1ccccc1)(c1ccc(cc1)C)=O