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Substance Name: 7-(2- (2-Aminothiazol-4-yl)-2-(1-carboxy-1-methylethoxyimino)acetamido)-3-(3,4-dihydroxybenzoyloxy)methyl-3-cephem-4-carboxylic acid
RN: 118680-12-9
InChIKey: KLYMJTRPLLECHE-XZISTLJXSA-N

Molecular Formula

  • C24-H23-N5-O11-S2

Molecular Weight

  • 621.6017
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • 3-(Catechol-4-ylcarbonyloxy)methylcephalosporin
  • Methyl-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-(((3,4-dihydroxybenzoyl)oxy)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 118680-12-9

System Generated Number

  • 0118680129

Structure Descriptors

InChI

1S/C24H23N5O11S2/c1-24(2,22(37)38)40-28-14(11-8-42-23(25)26-11)17(32)27-15-18(33)29-16(20(34)35)10(7-41-19(15)29)6-39-21(36)9-3-4-12(30)13(31)5-9/h3-5,8,15,19,30-31H,6-7H2,1-2H3,(H2,25,26)(H,27,32)(H,34,35)(H,37,38)/b28-14+/t15-,19-/m1/s1

InChIKey

KLYMJTRPLLECHE-XZISTLJXSA-N

Smiles

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