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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-(phenylmethyl)-9-((4-(2-(2-pyridinyl)ethoxy)phenyl)methyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162539-57-3
InChIKey: XGSPSWMOULVMMN-UYEZAFAQSA-N

Molecular Formula

  • C37-H52-N4-O7

Molecular Weight

  • 664.8388
 
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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-(2-pyridinyl)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-11-oxo-3-(phenylmethyl)-9-((4-(2-(2-pyridinyl)ethoxy)phenyl)methyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162539-57-3

System Generated Number

  • 0162539573

Structure Descriptors

InChI

1S/C37H52N4O7/c1-36(2,3)47-34(44)40-30(22-26-12-8-7-9-13-26)32(42)24-38-25-33(43)31(41-35(45)48-37(4,5)6)23-27-15-17-29(18-16-27)46-21-19-28-14-10-11-20-39-28/h7-18,20,30-33,38,42-43H,19,21-25H2,1-6H3,(H,40,44)(H,41,45)/t30-,31-,32+,33+/m0/s1

InChIKey

XGSPSWMOULVMMN-UYEZAFAQSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccc(cc2)OCCc3ccccn3)NC(=O)OC(C)(C)C)O)O