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Substance Name: L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-
RN: 129252-79-5
InChIKey: SSDHDCHQNPWZLQ-DNOAQWIPSA-N

Molecular Formula

  • C40-H54-N4-O5

Molecular Weight

  • 670.8896
 
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Names and Synonyms

Synonyms

  • 6-Phenyl-5-neopentylamido-4-hydroxy-2-benzyl-1-(leucinylphenylalaninylamino)-hexanone
  • tBu-CH2C(O)-CH2Ph-Leu-Phe-NH2

Systematic Name

  • L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-

Registry Numbers

CAS Registry Number

  • 129252-79-5

System Generated Number

  • 0129252795

Structure Descriptors

InChI

1S/C40H54N4O5/c1-27(2)21-34(39(49)43-33(37(41)47)24-30-19-13-8-14-20-30)44-38(48)31(22-28-15-9-6-10-16-28)25-35(45)32(23-29-17-11-7-12-18-29)42-36(46)26-40(3,4)5/h6-20,27,31-35,45H,21-26H2,1-5H3,(H2,41,47)(H,42,46)(H,43,49)(H,44,48)/t31-,32+,33+,34+,35+/m1/s1

InChIKey

SSDHDCHQNPWZLQ-DNOAQWIPSA-N

Smiles

CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)CC(C)(C)C)O