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Substance Name: C 2801X
RN: 56083-50-2
InChIKey: NJZVVAVNQYLLCW-AATDYCFQSA-N

Note

  • Cephamycin-type antibiotic.

Molecular Weight

  • 595.5791
 
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Names and Synonyms

Name of Substance

  • C 2801X

Synonym

  • C-2801X

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-amino-5-carboxy-1-oxopentyl)amino)-3-(((3-(3,4-dihydroxyphenyl)-2-methoxy-1-oxo-2-propenyl)oxy)methyl)-7-methoxy-8-oxo-, (6R-(6 alpha,7 alpha,7(R*)))-

Registry Numbers

CAS Registry Number

  • 56083-50-2

System Generated Number

  • 0056083502

Structure Descriptors

InChI

1S/C25H29N3O12S/c1-38-17(9-12-6-7-15(29)16(30)8-12)22(36)40-10-13-11-41-24-25(39-2,23(37)28(24)19(13)21(34)35)27-18(31)5-3-4-14(26)20(32)33/h6-9,14,24,29-30H,3-5,10-11,26H2,1-2H3,(H,27,31)(H,32,33)(H,34,35)/b17-9-/t14-,24-,25+/m1/s1

InChIKey

NJZVVAVNQYLLCW-AATDYCFQSA-N

Smiles

CO\C(=C/c1ccc(O)c(O)c1)\C(=O)OCC2=C(N3[C@H](SC2)[C@@](NC(=O)CCC[C@@H](N)C(=O)O)(OC)C3=O)C(=O)O