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Substance Name: (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine tert-butylamide
RN: 161510-58-3
InChIKey: SHXKZMZCHBAQLN-ABANCFTRSA-N

Molecular Formula

  • C40-H55-N5-O6

Molecular Weight

  • 701.9035
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 161510-58-3

System Generated Number

  • 0161510583

Structure Descriptors

InChI

1S/C40H55N5O6/c1-26(2)32(44-39(50)51-25-30-21-15-10-16-22-30)36(47)42-31(23-28-17-11-8-12-18-28)35(46)34(41-24-29-19-13-9-14-20-29)37(48)43-33(27(3)4)38(49)45-40(5,6)7/h8-22,26-27,31-35,41,46H,23-25H2,1-7H3,(H,42,47)(H,43,48)(H,44,50)(H,45,49)/t31-,32-,33-,34+,35+/m0/s1

InChIKey

SHXKZMZCHBAQLN-ABANCFTRSA-N

Smiles

CC(C)[C@@H](C(=O)NC(C)(C)C)NC(=O)[C@@H]([C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)OCc2ccccc2)O)NCc3ccccc3