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Substance Name: L-Valinamide, N-(2-(((1-((N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-L-valyl)amino)-2-phenylethyl)hydroxyphosphinyl)methyl)-1-oxo-3-phenylpropyl)-L-valyl-
RN: 129318-25-8
InChIKey: FRDXWSPCQJVMNT-QNTZKYAPSA-N

Molecular Formula

  • C43-H67-N6-O9-P

Molecular Weight

  • 843.0093
 
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Names and Synonyms

Synonyms

  • BOCVV-deCOOHF-P(O)(OH)-deNH2F-VVNH2
  • tert-ButyloxycarbonylValVal-decarboxyPhe-phosphinicodiyl-deaminoPhe-Val-Valineamide

Systematic Name

  • L-Valinamide, N-(2-(((1-((N-(N-((1,1-dimethylethoxy)carbonyl)-L-valyl)-L-valyl)amino)-2-phenylethyl)hydroxyphosphinyl)methyl)-1-oxo-3-phenylpropyl)-L-valyl-

Registry Numbers

CAS Registry Number

  • 129318-25-8

System Generated Number

  • 0129318258

Structure Descriptors

InChI

1S/C43H67N6O9P/c1-25(2)33(37(44)50)46-40(53)35(27(5)6)47-38(51)31(22-29-18-14-12-15-19-29)24-59(56,57)32(23-30-20-16-13-17-21-30)45-39(52)34(26(3)4)48-41(54)36(28(7)8)49-42(55)58-43(9,10)11/h12-21,25-28,31-36H,22-24H2,1-11H3,(H2,44,50)(H,45,52)(H,46,53)(H,47,51)(H,48,54)(H,49,55)(H,56,57)/t31?,32?,33-,34-,35-,36-/m0/s1

InChIKey

FRDXWSPCQJVMNT-QNTZKYAPSA-N

Smiles

CC(C)[C@@H](C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C(Cc1ccccc1)CP(=O)(C(Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)O