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Substance Name: (2R,3R,4S)-N-(2-((4-Methoxybenzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine(2-benzimidazolyl)methylamide
RN: 160495-86-3
InChIKey: VDAMGRGIJMNRLL-KMHPXQNHSA-N

Molecular Formula

  • C45-H55-N7-O7

Molecular Weight

  • 805.9715
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 160495-86-3

System Generated Number

  • 0160495863

Structure Descriptors

InChI

1S/C45H55N7O7/c1-28(2)38(42(54)47-26-37-48-34-18-12-13-19-35(34)49-37)51-44(56)40(46-25-31-20-22-33(58-5)23-21-31)41(53)36(24-30-14-8-6-9-15-30)50-43(55)39(29(3)4)52-45(57)59-27-32-16-10-7-11-17-32/h6-23,28-29,36,38-41,46,53H,24-27H2,1-5H3,(H,47,54)(H,48,49)(H,50,55)(H,51,56)(H,52,57)/t36-,38-,39-,40+,41+/m0/s1

InChIKey

VDAMGRGIJMNRLL-KMHPXQNHSA-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)NCc5ccc(cc5)OC