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Substance Name: 7-(2-(2-Aminothiazol-4-yl)-2-(1-carboxy-1-methylethoxyimino)acetamido)-3-(3-(2,6-dihydro-7-hydroxy-6-oxoisoquinolin-2-yl)propen-1-yl)-3-cephem-4-carboxylic acid
RN: 150256-26-1
InChIKey: RQENDQSLDGLZFP-BPNDJBKRSA-N

Molecular Formula

  • C28-H26-N6-O9-S2

Molecular Weight

  • 656.6942
 
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Names and Synonyms

Name of Substance

  • 7-(2-(2-Aminothiazol-4-yl)-2-(1-carboxy-1-methylethoxyimino)acetamido)-3-(3-(2,6-dihydro-7-hydroxy-6-oxoisoquinolin-2-yl)propen-1-yl)-3-cephem-4-carboxylic acid

Synonym

  • Dhoi-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-(7-hydroxy-6-oxo-2(6H)-isoquinolinyl)-1-propenyl)-8-oxo-, (6R-(3(E),6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 150256-26-1

System Generated Number

  • 0150256261

Structure Descriptors

InChI

1S/C28H28N6O9S2/c1-27(2,24(39)40)43-32-19(16-11-44-26(29)30-16)21(37)31-20-22(38)34-12-28(25(41)42,13-45-23(20)34)5-3-6-33-7-4-14-8-17(35)18(36)9-15(14)10-33/h3-5,7-11,20,23,36H,6,12-13H2,1-2H3,(H2,29,30)(H,31,37)(H,39,40)(H,41,42)/t20?,23-,28?/m1/s1

InChIKey

RQENDQSLDGLZFP-BPNDJBKRSA-N

Smiles

CC(C)(ON=C(C(=O)NC1[C@H]2SCC(CN2C1=O)(C=CCN3C=CC4=CC(=O)C(=CC4=C3)O)C(=O)O)c5csc(N)n5)C(=O)O