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Substance Name: (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine (2-benzimidazolyl)methylamide
RN: 161277-31-2
InChIKey: KTZPCIMYAAVDNE-BMYMHALSSA-N

Molecular Formula

  • C44-H53-N7-O6

Molecular Weight

  • 775.9457
 
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Names and Synonyms

  • (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine (2-benzimidazolyl)methylamide

Registry Numbers

CAS Registry Number

  • 161277-31-2

System Generated Number

  • 0161277312

Structure Descriptors

InChI

1S/C44H53N7O6/c1-28(2)37(41(53)46-26-36-47-33-22-14-15-23-34(33)48-36)50-43(55)39(45-25-31-18-10-6-11-19-31)40(52)35(24-30-16-8-5-9-17-30)49-42(54)38(29(3)4)51-44(56)57-27-32-20-12-7-13-21-32/h5-23,28-29,35,37-40,45,52H,24-27H2,1-4H3,(H,46,53)(H,47,48)(H,49,54)(H,50,55)(H,51,56)/t35-,37-,38-,39+,40+/m0/s1

InChIKey

KTZPCIMYAAVDNE-BMYMHALSSA-N

Smiles

CC(C)[C@@H](C(=O)NCc1[nH]c2ccccc2n1)NC(=O)[C@@H]([C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4)O)NCc5ccccc5