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Substance Name: (2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-2(S)-aminobutyryl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide
RN: 161510-46-9
InChIKey: SXMCNHGNMUQWRG-LOFFRUMASA-N

Molecular Formula

  • C42-H51-N5-O6

Molecular Weight

  • 721.8939
 
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Names and Synonyms

  • (2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-2(S)-aminobutyryl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide

Registry Numbers

CAS Registry Number

  • 161510-46-9

System Generated Number

  • 0161510469

Structure Descriptors

InChI

1S/C42H51N5O6/c1-4-34(46-42(52)53-28-33-23-15-8-16-24-33)39(49)45-35(25-30-17-9-5-10-18-30)38(48)37(43-26-31-19-11-6-12-20-31)41(51)47-36(29(2)3)40(50)44-27-32-21-13-7-14-22-32/h5-24,29,34-38,43,48H,4,25-28H2,1-3H3,(H,44,50)(H,45,49)(H,46,52)(H,47,51)/t34-,35-,36-,37+,38+/m0/s1

InChIKey

SXMCNHGNMUQWRG-LOFFRUMASA-N

Smiles

CC[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccc2)NCc3ccccc3)O)NC(=O)OCc4ccccc4