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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162540-49-0
InChIKey: MMKHYVMEYOSGDI-SYQUUIDJSA-N

Molecular Formula

  • C35-H51-N5-O7

Molecular Weight

  • 653.8159
 
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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-(1H-imidazol-1-yl)ethoxy)phenyl)butyl)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-3-((4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162540-49-0

System Generated Number

  • 0162540490

Structure Descriptors

InChI

1S/C35H51N5O7/c1-34(2,3)46-32(43)38-28(20-25-10-8-7-9-11-25)30(41)22-37-23-31(42)29(39-33(44)47-35(4,5)6)21-26-12-14-27(15-13-26)45-19-18-40-17-16-36-24-40/h7-17,24,28-31,37,41-42H,18-23H2,1-6H3,(H,38,43)(H,39,44)/t28-,29-,30+,31+/m0/s1

InChIKey

MMKHYVMEYOSGDI-SYQUUIDJSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccc(cc2)OCCn3ccnc3)NC(=O)OC(C)(C)C)O)O