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Substance Name: Phe Aminodiol isostere
RN: 175417-50-2
InChIKey: SPEPPPKXFJRIFN-VUGKQVTMSA-N

Molecular Formula

  • C33-H51-N3-O8

Molecular Weight

  • 617.7789
 
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Names and Synonyms

Results Name

  • Phe Aminodiol isostere

Synonyms

  • (1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(2-hydroxypropoxy)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-3-((4-(2-hydroxypropoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*(S*),4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 175417-50-2

System Generated Number

  • 0175417502

Structure Descriptors

InChI

1S/C33H51N3O8/c1-22(37)21-42-25-15-13-24(14-16-25)18-27(36-31(41)44-33(5,6)7)29(39)20-34-19-28(38)26(17-23-11-9-8-10-12-23)35-30(40)43-32(2,3)4/h8-16,22,26-29,34,37-39H,17-21H2,1-7H3,(H,35,40)(H,36,41)/t22-,26+,27+,28-,29-/m1/s1

InChIKey

SPEPPPKXFJRIFN-VUGKQVTMSA-N

Smiles

C[C@H](COc1ccc(cc1)C[C@@H]([C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O)NC(=O)OC(C)(C)C)O