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Substance Name: (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((tert-butyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
RN: 161510-54-9
InChIKey: ULCLWNYLBCRHKU-MHQZJQMASA-N

Molecular Formula

  • C40-H55-N5-O6

Molecular Weight

  • 701.9035
 
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Names and Synonyms

  • (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((tert-butyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide

Registry Numbers

CAS Registry Number

  • 161510-54-9

System Generated Number

  • 0161510549

Structure Descriptors

InChI

1S/C40H55N5O6/c1-26(2)32(36(47)42-25-30-21-15-10-16-22-30)44-38(49)34(41-24-29-19-13-9-14-20-29)35(46)31(23-28-17-11-8-12-18-28)43-37(48)33(27(3)4)45-39(50)51-40(5,6)7/h8-22,26-27,31-35,41,46H,23-25H2,1-7H3,(H,42,47)(H,43,48)(H,44,49)(H,45,50)/t31-,32?,33-,34+,35+/m0/s1

InChIKey

ULCLWNYLBCRHKU-MHQZJQMASA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@H](C(=O)NC(C(C)C)C(=O)NCc2ccccc2)NCc3ccccc3)O)NC(=O)OC(C)(C)C