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Substance Name: (2R,3R,4S)-N-((3-Indolyl)ethylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
RN: 161389-20-4
InChIKey: ZVHFXOSYXGCZQI-JOXOUDDWSA-N

Molecular Formula

  • C46-H56-N6-O6

Molecular Weight

  • 788.9844
 
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Names and Synonyms

  • (2R,3R,4S)-N-((3-Indolyl)ethylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide

Registry Numbers

CAS Registry Number

  • 161389-20-4

System Generated Number

  • 0161389204

Structure Descriptors

InChI

1S/C46H56N6O6/c1-30(2)39(43(54)49-27-33-18-10-6-11-19-33)51-45(56)41(47-25-24-35-28-48-37-23-15-14-22-36(35)37)42(53)38(26-32-16-8-5-9-17-32)50-44(55)40(31(3)4)52-46(57)58-29-34-20-12-7-13-21-34/h5-23,28,30-31,35,38-42,47,53H,24-27,29H2,1-4H3,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t35?,38-,39-,40-,41+,42+/m0/s1

InChIKey

ZVHFXOSYXGCZQI-JOXOUDDWSA-N

Smiles

CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NCCC4C=Nc5c4cccc5