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Substance Name: 4-Morpholinecarboxylic acid, (4-(2-(((1,1-dimethylethoxy)carbonyl)amino)-4-((3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-3-hydroxybutyl)phenyl)methyl ester, (2R-(1(2S*,3R*),2R*,3S*))-
RN: 175233-61-1
InChIKey: DDHUVWKEFAMGRB-SYQUUIDJSA-N

Molecular Formula

  • C36-H54-N4-O9

Molecular Weight

  • 686.8416
 
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Names and Synonyms

Synonyms

  • (1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(((4-morpholinylcarbonyl)oxy)methyl)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester
  • Phe Aminodiol isostere

Systematic Name

  • 4-Morpholinecarboxylic acid, (4-(2-(((1,1-dimethylethoxy)carbonyl)amino)-4-((3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-3-hydroxybutyl)phenyl)methyl ester, (2R-(1(2S*,3R*),2R*,3S*))-

Registry Numbers

CAS Registry Number

  • 175233-61-1

System Generated Number

  • 0175233611

Structure Descriptors

InChI

1S/C36H54N4O9/c1-35(2,3)48-32(43)38-28(20-25-10-8-7-9-11-25)30(41)22-37-23-31(42)29(39-33(44)49-36(4,5)6)21-26-12-14-27(15-13-26)24-47-34(45)40-16-18-46-19-17-40/h7-15,28-31,37,41-42H,16-24H2,1-6H3,(H,38,43)(H,39,44)/t28-,29-,30+,31+/m0/s1

InChIKey

DDHUVWKEFAMGRB-SYQUUIDJSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccc(cc2)COC(=O)N3CCOCC3)NC(=O)OC(C)(C)C)O)O