Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Emd 52297
RN: 129049-51-0
InChIKey: LXFRBEWNYDBACO-UHFFFAOYSA-N

Molecular Formula

  • C39-H59-N11-O7

Molecular Weight

  • 793.9651
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • EMD 52297

Synonyms

  • EMD 52297
  • N-(tert-Butoxycarbonal)-phenylalanyl-histidyl-(4-amino-3-hydroxy-5-cyclohexyl)-pentacarbonyl-isoleucyl-(2-amidomethyl)tetrazol

Systematic Name

  • L-threo-Pentonamide, 5-cyclohexyl-2,4,5-trideoxy-4-((N-(N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl)-L-histidyl)amino)-N-(2-methyl-1-(((2H-tetrazol-2-ylmethyl)amino)carbonyl)butyl)-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 129049-51-0

System Generated Number

  • 0129049510

Structure Descriptors

InChI

1S/C39H59N11O7/c1-6-25(2)34(37(55)42-24-50-44-23-43-49-50)48-33(52)20-32(51)29(17-26-13-9-7-10-14-26)45-36(54)31(19-28-21-40-22-41-28)46-35(53)30(18-27-15-11-8-12-16-27)47-38(56)57-39(3,4)5/h8,11-12,15-16,21-23,25-26,29-32,34,51H,6-7,9-10,13-14,17-20,24H2,1-5H3,(H,40,41)(H,42,55)(H,45,54)(H,46,53)(H,47,56)(H,48,52)

InChIKey

LXFRBEWNYDBACO-UHFFFAOYSA-N

Smiles

CCC(C)C(C(=O)NCn1ncnn1)NC(=O)CC(C(CC2CCCCC2)NC(=O)C(Cc3cnc[nH]3)NC(=O)C(Cc4ccccc4)NC(=O)OC(C)(C)C)O