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Substance Name: Benzhydryl 7-((2-(4-hydroxyphenyl)-3-(4-methoxybenzyloxy)-3-oxopropionyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
RN: 70653-54-2
InChIKey: TYTWNEXLMSXPBY-UHFFFAOYSA-N

Molecular Formula

  • C41-H38-N6-O10-S

Molecular Weight

  • 806.8492
 
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Names and Synonyms

Synonym

  • EINECS 274-723-7

Systematic Name

  • Benzhydryl 7-((2-(4-hydroxyphenyl)-3-(4-methoxybenzyloxy)-3-oxopropionyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate

Registry Numbers

CAS Registry Number

  • 70653-54-2

System Generated Number

  • 0070653542

Structure Descriptors

InChI

1S/C41H38N6O10S/c1-46-40(43-44-45-46)58-24-29-23-56-39-41(54-3,38(52)47(39)33(29)37(51)57-34(27-10-6-4-7-11-27)28-12-8-5-9-13-28)42-35(49)32(26-16-18-30(48)19-17-26)36(50)55-22-25-14-20-31(53-2)21-15-25/h4-21,32,34,39,48H,22-24H2,1-3H3,(H,42,49)

InChIKey

TYTWNEXLMSXPBY-UHFFFAOYSA-N

Smiles

Cn1c(nnn1)SCC2=C(N3C(C(C3=O)(NC(=O)C(c4ccc(cc4)O)C(=O)OCc5ccc(cc5)OC)OC)OC2)C(=O)OC(c6ccccc6)c7ccccc7