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Substance Name: (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-(2-pyridinylmethoxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
RN: 161510-55-0
InChIKey: ANUZDKWLVLGFCY-LOFFRUMASA-N

Molecular Formula

  • C42-H52-N6-O6

Molecular Weight

  • 736.9088
 
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Names and Synonyms

  • (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-(2-pyridinylmethoxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide

Registry Numbers

CAS Registry Number

  • 161510-55-0

System Generated Number

  • 0161510550

Structure Descriptors

InChI

1S/C42H52N6O6/c1-28(2)35(39(50)45-26-32-20-12-7-13-21-32)47-41(52)37(44-25-31-18-10-6-11-19-31)38(49)34(24-30-16-8-5-9-17-30)46-40(51)36(29(3)4)48-42(53)54-27-33-22-14-15-23-43-33/h5-23,28-29,34-38,44,49H,24-27H2,1-4H3,(H,45,50)(H,46,51)(H,47,52)(H,48,53)/t34-,35-,36-,37+,38+/m0/s1

InChIKey

ANUZDKWLVLGFCY-LOFFRUMASA-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)OCc3ccccn3)O)NCc4ccccc4