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Substance Name: L-Lyxonamide, N-(1-(((1H-benzimidazol-2-ylmethyl)amino)carbonyl)-2-methylpropyl)-2-(((4-chlorophenyl)methyl)amino)-2,4,5-trideoxy-4-((3,3-dimethyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-5-phenyl-,(1(S),4(S))-
RN: 161186-52-3
InChIKey: IEDQYRTWHQBMRX-UREOVUFLSA-N

Molecular Formula

  • C45-H54-Cl-N7-O6

Molecular Weight

  • 824.4176
 
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Names and Synonyms

Synonym

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

Systematic Name

  • L-Lyxonamide, N-(1-(((1H-benzimidazol-2-ylmethyl)amino)carbonyl)-2-methylpropyl)-2-(((4-chlorophenyl)methyl)amino)-2,4,5-trideoxy-4-((3,3-dimethyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-5-phenyl-,(1(S),4(S))-

Registry Numbers

CAS Registry Number

  • 161186-52-3

System Generated Number

  • 0161186523

Structure Descriptors

InChI

1S/C45H54ClN7O6/c1-28(2)37(41(55)48-26-36-49-33-18-12-13-19-34(33)50-36)52-42(56)38(47-25-30-20-22-32(46)23-21-30)39(54)35(24-29-14-8-6-9-15-29)51-43(57)40(45(3,4)5)53-44(58)59-27-31-16-10-7-11-17-31/h6-23,28,35,37-40,47,54H,24-27H2,1-5H3,(H,48,55)(H,49,50)(H,51,57)(H,52,56)(H,53,58)/t35-,37-,38+,39+,40+/m0/s1

InChIKey

IEDQYRTWHQBMRX-UREOVUFLSA-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)C)NC(=O)OCc4ccccc4)O)NCc5ccc(cc5)Cl