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Substance Name: Propen-attac-cephem
RN: 141197-54-8
InChIKey: YAKVGNOMCIMCCZ-WAMCZMCJSA-N

Molecular Formula

  • C26-H25-N5-O11-S2

Molecular Weight

  • 647.6395
 
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Names and Synonyms

Results Name

  • Propen-attac-cephem

Name of Substance

  • 7-(2-(2-Aminothiazol-4-yl)- 2-(1-carboxyl-1-methylethoxyimino)acetamido)-3-(3-(3,4-dihydroxybenzoyloxy)-1-propen-1-yl)-3-cephem-4-carboxylic acid

Synonyms

  • 3-(3-(Catechol-4-ylcarbonyloxy)-1-propen-1-yl)cephalosporin
  • 7-(2-(2-Aminothiazol-4-yl)-2-(1-carboxyl-1-methylethoxyimino)acetamido)-3-(3-(3,4-dihydroxybenzoyloxy)-1-propen-1-yl)-3-cephem-4-carboxylic acid
  • Propen-attac-cephem

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-(3-((3,4-dihydroxybenzoyl)oxy)-1-propenyl)-8-oxo-, (6R-(3(E),6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 141197-54-8

System Generated Number

  • 0141197548

Structure Descriptors

InChI

1S/C26H25N5O11S2/c1-26(2,24(39)40)42-30-16(13-10-44-25(27)28-13)19(34)29-17-20(35)31-18(22(36)37)12(9-43-21(17)31)4-3-7-41-23(38)11-5-6-14(32)15(33)8-11/h3-6,8,10,17,21,32-33H,7,9H2,1-2H3,(H2,27,28)(H,29,34)(H,36,37)(H,39,40)/b4-3+,30-16-/t17-,21-/m1/s1

InChIKey

YAKVGNOMCIMCCZ-WAMCZMCJSA-N

Smiles

CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)\C=C\COC(=O)c3ccc(O)c(O)c3)\c4csc(N)n4)C(=O)O