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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-pyridinylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162538-25-2
InChIKey: HFYNRTHTPCWYOT-CXSMSNRLSA-N

Molecular Formula

  • C29-H44-N4-O6

Molecular Weight

  • 544.6886
 
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Names and Synonyms

Synonyms

  • (1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-2-hydroxy-1-(4-pyridinylmethyl)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-pyridinylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162538-25-2

System Generated Number

  • 0162538252

Structure Descriptors

InChI

1S/C29H44N4O6/c1-28(2,3)38-26(36)32-22(16-20-10-8-7-9-11-20)24(34)18-31-19-25(35)23(17-21-12-14-30-15-13-21)33-27(37)39-29(4,5)6/h7-15,22-25,31,34-35H,16-19H2,1-6H3,(H,32,36)(H,33,37)/t22-,23-,24+,25+/m0/s1

InChIKey

HFYNRTHTPCWYOT-CXSMSNRLSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)O)O