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Substance Name: t-Butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16
RN: 130982-44-4
InChIKey: DBZJJKRAENLJIA-XOQVERFLSA-N

Molecular Formula

  • C34-H53-B-N6-O6

Molecular Weight

  • 652.6397
 
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Names and Synonyms

Name of Substance

  • t-Butyloxycarbonyl-phenylalanyl-prolyl-boroarginine-C10H16

Synonyms

  • (3aR-(2(S*),3aalpha,4alpha,6alpha,7aalpha))-N-((1,1-Dimethylethoxy)carbonyl)-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-(hexahydro-3a,5,5-trimethyl-4,6-mthano-1,3,2-benzodioxaborol-2-yl)butyl)-L-prolinamide
  • Boc-phe-pro-boroarg-OH

Systematic Name

  • L-Prolinamide, N-((1,1-dimethylethoxy)carbonyl)-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-(hexahydro-3a,5,5-trimethyl-4,6-mthano-1,3,2-benzodioxaborol-2-yl)butyl)-, (3aR-(2(S*),3aalpha,4alpha,6alpha,7aalpha))-

Registry Numbers

CAS Registry Number

  • 130982-44-4

System Generated Number

  • 0130982444

Structure Descriptors

InChI

1S/C34H53BN6O6/c1-31(2,3)45-30(44)40-23(18-21-12-8-7-9-13-21)27(42)34(28(36)43)15-11-17-41(34)26(14-10-16-39-29(37)38)35-46-25-20-22-19-24(32(22,4)5)33(25,6)47-35/h7-9,12-13,22-26H,10-11,14-20H2,1-6H3,(H2,36,43)(H,40,44)(H4,37,38,39)/t22-,23-,24-,25-,26?,33+,34-/m1/s1

InChIKey

DBZJJKRAENLJIA-XOQVERFLSA-N

Smiles

B1(O[C@@H]2C[C@H]3C[C@@H]([C@@]2(O1)C)C3(C)C)C(CCCNC(=N)N)N4CCC[C@@]4(C(=O)[C@@H](Cc5ccccc5)NC(=O)OC(C)(C)C)C(=O)N