Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Imidazole-5-butanoic acid, beta-((2,2-dimethyl-1-oxopropoxy)methyl)-alpha-ethyl-1-methyl-, 1,4-phenylene ester, (alphaS-(alphaR*(alphaR*,betaS*),betaS*))-
RN: 172699-82-0
InChIKey: YRVVUTKPVDHKSC-MCZNPFQCSA-N

Molecular Formula

  • C38-H54-N4-O8

Molecular Weight

  • 694.865
 
* 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

  • 1H-Imidazole-5-butanoic acid, beta-((2,2-dimethyl-1-oxopropoxy)methyl)-alpha-ethyl-1-methyl-, 1,4-phenylene ester, (alphaS-(alphaR*(alphaR*,betaS*),betaS*))-

Registry Numbers

CAS Registry Number

  • 172699-82-0

System Generated Number

  • 0172699820

Structure Descriptors

InChI

1S/C38H54N4O8/c1-11-31(25(17-27-19-39-23-41(27)9)21-47-35(45)37(3,4)5)33(43)49-29-13-15-30(16-14-29)50-34(44)32(12-2)26(18-28-20-40-24-42(28)10)22-48-36(46)38(6,7)8/h13-16,19-20,23-26,31-32H,11-12,17-18,21-22H2,1-10H3/t25-,26-,31-,32-/m0/s1

InChIKey

YRVVUTKPVDHKSC-MCZNPFQCSA-N

Smiles

n1(c(C[C@@H](COC(C(C)(C)C)=O)[C@H](CC)C(Oc2ccc(cc2)OC([C@H]([C@@H](Cc2n(cnc2)C)COC(C(C)(C)C)=O)CC)=O)=O)cnc1)C