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Substance Name: L-Phenylalaninamide, N-(5-((2-(((1,1-dimethylethoxy)carbonyl)amino)-1-oxo-3-phenylpropyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*(S*)))-
RN: 132565-30-1
InChIKey: OKLXJRBROSFVFX-RUPQPXQESA-N

Molecular Formula

  • C48-H61-N5-O7

Molecular Weight

  • 820.0379
 
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Names and Synonyms

Synonyms

  • 6-Phenyl-5-(N-butyloxycarbonylphenylalaninylamino)-4-hydroxy-2-benzyl-1-(leucinylphenylalaninylamino)-hexanone
  • Boc-Phe-CH2Ph-Leu-Phe-NH2

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 132565-30-1

System Generated Number

  • 0132565301

Structure Descriptors

InChI

1S/C48H61N5O7/c1-32(2)26-40(45(57)51-39(43(49)55)29-35-22-14-8-15-23-35)52-44(56)37(27-33-18-10-6-11-19-33)31-42(54)38(28-34-20-12-7-13-21-34)50-46(58)41(30-36-24-16-9-17-25-36)53-47(59)60-48(3,4)5/h6-25,32,37-42,54H,26-31H2,1-5H3,(H2,49,55)(H,50,58)(H,51,57)(H,52,56)(H,53,59)/t37-,38+,39+,40+,41+,42+/m1/s1

InChIKey

OKLXJRBROSFVFX-RUPQPXQESA-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)[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)O