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Substance Name: E 1101
RN: 142494-87-9
InChIKey: OKKNLGCBBUIKCA-KTTSAYCYSA-N

Molecular Formula

  • C22-H28-N6-O10-S2.Cl-H

Molecular Weight

  • 637.088
 
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Names and Synonyms

Name of Substance

  • E 1101

Synonym

  • 1-(Isopropoxycarbonyloxy)ethyl 7-(2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetamido)-3-N,N-dimethylcarbamoyloxymethyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate monohydrochloride

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(hydroxyimino)acetyl)amino)-3-((((dimethylamino)carbonyl)oxy)methyl)-8-oxo-, 1-(((1-methylethoxy)carbonyl)oxy)ethyl ester, monohydrochloride, (6R-(6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 142494-87-9

System Generated Number

  • 0142494879

Molecular Formulas

Molecular Formula

  • C22-H28-N6-O10-S2.Cl-H

Molecular Formula Fragments

  • C22-H28-N6-O10-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N6O10S2.ClH/c1-9(2)36-22(33)38-10(3)37-19(31)15-11(6-35-21(32)27(4)5)7-39-18-14(17(30)28(15)18)25-16(29)13(26-34)12-8-40-20(23)24-12;/h8-10,14,18,34H,6-7H2,1-5H3,(H2,23,24)(H,25,29);1H/b26-13+;/t10?,14?,18-;/m1./s1

InChIKey

OKKNLGCBBUIKCA-KTTSAYCYSA-N

Smiles

N12C(=C(CS[C@@H]2[C@@H](C1=O)NC(=O)\C(=N\O)c1nc(sc1)N)COC(=O)N(C)C)C(=O)O[C@@H](C)OC(=O)OC(C)C.Cl