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Substance Name: (2R,3R,4S)-N-(2-((1-Naphthalenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
RN: 161510-41-4
InChIKey: MHHKZFUWGOGERO-IVBRNKFMSA-N

Molecular Formula

  • C47-H55-N5-O6

Molecular Weight

  • 785.9805
 
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Names and Synonyms

  • (2R,3R,4S)-N-(2-((1-Naphthalenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide

Registry Numbers

CAS Registry Number

  • 161510-41-4

System Generated Number

  • 0161510414

Structure Descriptors

InChI

1S/C47H55N5O6/c1-31(2)40(44(54)49-28-34-19-10-6-11-20-34)51-46(56)42(48-29-37-25-16-24-36-23-14-15-26-38(36)37)43(53)39(27-33-17-8-5-9-18-33)50-45(55)41(32(3)4)52-47(57)58-30-35-21-12-7-13-22-35/h5-26,31-32,39-43,48,53H,27-30H2,1-4H3,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t39-,40-,41-,42+,43+/m0/s1

InChIKey

MHHKZFUWGOGERO-IVBRNKFMSA-N

Smiles

CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NCc4cccc5c4cccc5