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Substance Name: (2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-tryptophanyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
RN: 161510-47-0
InChIKey: VKHXZIVZQNBARO-LMXAYPQSSA-N

Molecular Formula

  • C49-H54-N6-O6

Molecular Weight

  • 823.0016
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 161510-47-0

System Generated Number

  • 0161510470

Structure Descriptors

InChI

1S/C49H54N6O6/c1-33(2)43(47(58)52-30-36-21-11-5-12-22-36)55-48(59)44(51-29-35-19-9-4-10-20-35)45(56)41(27-34-17-7-3-8-18-34)53-46(57)42(28-38-31-50-40-26-16-15-25-39(38)40)54-49(60)61-32-37-23-13-6-14-24-37/h3-26,31,33,41-45,50-51,56H,27-30,32H2,1-2H3,(H,52,58)(H,53,57)(H,54,60)(H,55,59)/t41-,42-,43-,44+,45+/m0/s1

InChIKey

VKHXZIVZQNBARO-LMXAYPQSSA-N

Smiles

CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)OCc5ccccc5)O)NCc6ccccc6