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Substance Name: Phe Aminodiol isostere
RN: 162541-14-2
InChIKey: HGZGSIWZDXBMDK-VZNYXHRGSA-N

Molecular Formula

  • C35-H54-N4-O9

Molecular Weight

  • 674.8306
 
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Names and Synonyms

Results Name

  • Phe Aminodiol isostere

Synonyms

  • (1S-(1R,2S(2S,3R)))-(3-((4-(4-((2-(((Dimethylamino)carbonyl)oxy)ethoxy)phenyl)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxybutyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic acid
  • Phe Aminodiol isostere

Systematic Name

  • 12-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(2-(((dimethylamino)carbonyl)oxy)ethoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162541-14-2

System Generated Number

  • 0162541142

Structure Descriptors

InChI

1S/C35H54N4O9/c1-34(2,3)47-31(42)37-27(20-24-12-10-9-11-13-24)29(40)22-36-23-30(41)28(38-32(43)48-35(4,5)6)21-25-14-16-26(17-15-25)45-18-19-46-33(44)39(7)8/h9-17,27-30,36,40-41H,18-23H2,1-8H3,(H,37,42)(H,38,43)/t27-,28-,29+,30+/m0/s1

InChIKey

HGZGSIWZDXBMDK-VZNYXHRGSA-N

Smiles

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