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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(2-oxo-2-(1-piperidinyl)ethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162540-84-3
InChIKey: CKXAPPBTNSDDKV-GASGPIRDSA-N

Molecular Formula

  • C37-H56-N4-O8

Molecular Weight

  • 684.8694
 
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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-piperidinylethoxy)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-((4-(2-oxo-2-(1-piperidinyl)ethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162540-84-3

System Generated Number

  • 0162540843

Structure Descriptors

InChI

1S/C37H56N4O8/c1-36(2,3)48-34(45)39-29(21-26-13-9-7-10-14-26)31(42)23-38-24-32(43)30(40-35(46)49-37(4,5)6)22-27-15-17-28(18-16-27)47-25-33(44)41-19-11-8-12-20-41/h7,9-10,13-18,29-32,38,42-43H,8,11-12,19-25H2,1-6H3,(H,39,45)(H,40,46)/t29-,30-,31+,32+/m0/s1

InChIKey

CKXAPPBTNSDDKV-GASGPIRDSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccc(cc2)OCC(=O)N3CCCCC3)NC(=O)OC(C)(C)C)O)O