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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(2-(4-morpholinyl)ethoxy)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162539-54-0
InChIKey: RCFQGEMHANXIRS-GASGPIRDSA-N

Molecular Formula

  • C36-H56-N4-O8

Molecular Weight

  • 672.8584
 
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Names and Synonyms

Synonyms

  • (1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(2-(4-morpholinyl)ethoxy)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester
  • Phe Aminodiol isostere

Systematic Name

  • 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(2-(4-morpholinyl)ethoxy)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162539-54-0

System Generated Number

  • 0162539540

Structure Descriptors

InChI

1S/C36H56N4O8/c1-35(2,3)47-33(43)38-29(22-26-10-8-7-9-11-26)31(41)24-37-25-32(42)30(39-34(44)48-36(4,5)6)23-27-12-14-28(15-13-27)46-21-18-40-16-19-45-20-17-40/h7-15,29-32,37,41-42H,16-25H2,1-6H3,(H,38,43)(H,39,44)/t29-,30-,31+,32+/m0/s1

InChIKey

RCFQGEMHANXIRS-GASGPIRDSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccc(cc2)OCCN3CCOCC3)NC(=O)OC(C)(C)C)O)O