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Substance Name: (2R,3S,4S)-N-(2-(4-Methoxybenzylamine)-4-((N-((benzyloxy)carbonyl)tert-leucine)amino)-3-hydroxy-5-phenylpentanoyl)valine (2-benzimidazolyl)methylamide
RN: 161186-51-2
InChIKey: KBEORHYUNGNGSC-FSYSLULESA-N

Molecular Formula

  • C46-H57-N7-O7

Molecular Weight

  • 819.9983
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 161186-51-2

System Generated Number

  • 0161186512

Structure Descriptors

InChI

1S/C46H57N7O7/c1-29(2)38(42(55)48-27-37-49-34-19-13-14-20-35(34)50-37)52-43(56)39(47-26-31-21-23-33(59-6)24-22-31)40(54)36(25-30-15-9-7-10-16-30)51-44(57)41(46(3,4)5)53-45(58)60-28-32-17-11-8-12-18-32/h7-24,29,36,38-41,47,54H,25-28H2,1-6H3,(H,48,55)(H,49,50)(H,51,57)(H,52,56)(H,53,58)/t36-,38-,39+,40+,41+/m0/s1

InChIKey

KBEORHYUNGNGSC-FSYSLULESA-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)OC