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Substance Name: (2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-histadinyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
RN: 161594-20-3
InChIKey: WSLWIPIDIKGXCF-PLXHNDKISA-N

Molecular Formula

  • C44-H51-N7-O6

Molecular Weight

  • 773.9299
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 161594-20-3

System Generated Number

  • 0161594203

Structure Descriptors

InChI

1S/C44H51N7O6/c1-30(2)38(42(54)47-26-33-19-11-5-12-20-33)51-43(55)39(46-25-32-17-9-4-10-18-32)40(52)36(23-31-15-7-3-8-16-31)49-41(53)37(24-35-27-45-29-48-35)50-44(56)57-28-34-21-13-6-14-22-34/h3-22,27,29-30,36-40,46,52H,23-26,28H2,1-2H3,(H,45,48)(H,47,54)(H,49,53)(H,50,56)(H,51,55)/t36-,37-,38-,39+,40+/m0/s1

InChIKey

WSLWIPIDIKGXCF-PLXHNDKISA-N

Smiles

CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OCc4ccccc4)O)NCc5ccccc5