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Substance Name: EINECS 260-339-7
RN: 56686-90-9
InChIKey: YBVOYFJRYXRGHG-ZGOHAYIYSA-N

Molecular Formula

  • C27-H36-N4-O13-S2

Molecular Weight

  • 688.728
 
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Names and Synonyms

Results Name

  • EINECS 260-339-7

Synonym

  • EINECS 260-339-7

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((aminocarbonyl)oxy)methyl)-7-methoxy-7-((6-(methoxymethoxy)-5-(((4-methylphenyl)sulfonyl)amino)-1,6-dioxohexyl)amino)-8-oxo-, methoxymethylester, (6R-(6alpha,7alpha,7(R*)))-

Registry Numbers

CAS Registry Number

  • 56686-90-9

System Generated Number

  • 0056686909

Structure Descriptors

InChI

1S/C27H36N4O13S2/c1-16-8-10-18(11-9-16)46(37,38)30-19(22(33)43-14-39-2)6-5-7-20(32)29-27(41-4)24(35)31-21(23(34)44-15-40-3)17(12-42-26(28)36)13-45-25(27)31/h8-11,19,25,30H,5-7,12-15H2,1-4H3,(H2,28,36)(H,29,32)/t19?,25-,27+/m1/s1

InChIKey

YBVOYFJRYXRGHG-ZGOHAYIYSA-N

Smiles

COCOC(=O)C1=C(COC(N)=O)CS[C@H]2N1C([C@@]2(NC(CCC[C@@H](C(OCOC)=O)NS(c1ccc(cc1)C)(=O)=O)=O)OC)=O