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Substance Name: (1S-(1R*,2S*(2S*,3R*)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(2-hydroxy-2-(3-pyridinyl)ethoxy)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester
RN: 162541-02-8
InChIKey: XBPZCWQSUUUWSF-LUPTZNFISA-N

Molecular Formula

  • C37-H52-N4-O8

Molecular Weight

  • 680.8378
 
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Names and Synonyms

Synonyms

  • 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-hydroxy-2-(3-pyridinyl)ethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester
  • Phe Aminodiol isostere

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 162541-02-8

System Generated Number

  • 0162541028

Structure Descriptors

InChI

1S/C37H52N4O8/c1-36(2,3)48-34(45)40-29(19-25-11-8-7-9-12-25)31(42)22-39-23-32(43)30(41-35(46)49-37(4,5)6)20-26-14-16-28(17-15-26)47-24-33(44)27-13-10-18-38-21-27/h7-18,21,29-33,39,42-44H,19-20,22-24H2,1-6H3,(H,40,45)(H,41,46)/t29-,30-,31+,32+,33?/m0/s1

InChIKey

XBPZCWQSUUUWSF-LUPTZNFISA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccc(cc2)OCC(c3cccnc3)O)NC(=O)OC(C)(C)C)O)O