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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(2-(3-methyl-2-oxo-1-imidazolidinyl)ethoxy)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162541-08-4
InChIKey: KQBXKNMHEJHPCA-SYQUUIDJSA-N

Molecular Formula

  • C36-H55-N5-O8

Molecular Weight

  • 685.8575
 
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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-(3-methyl-2-oxo-1-imidazolidinyl)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-3-((4-(2-(3-methyl-2-oxo-1-imidazolidinyl)ethoxy)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162541-08-4

System Generated Number

  • 0162541084

Structure Descriptors

InChI

1S/C36H55N5O8/c1-35(2,3)48-32(44)38-28(21-25-11-9-8-10-12-25)30(42)23-37-24-31(43)29(39-33(45)49-36(4,5)6)22-26-13-15-27(16-14-26)47-20-19-41-18-17-40(7)34(41)46/h8-16,28-31,37,42-43H,17-24H2,1-7H3,(H,38,44)(H,39,45)/t28-,29-,30+,31+/m0/s1

InChIKey

KQBXKNMHEJHPCA-SYQUUIDJSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccc(cc2)OCCN3CCN(C3=O)C)NC(=O)OC(C)(C)C)O)O