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Substance Name: N-tert-Butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide
RN: 117722-96-0
InChIKey: KZFLVDCDFDWRDZ-LNMJFAINSA-N

Molecular Formula

  • C26-H36-N6-O10

Molecular Weight

  • 592.6024
 
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Names and Synonyms

Name of Substance

  • N-tert-Butoxycarbonyl-alanyl-alanyl-prolyl-aspartyl-4-nitroanilide

Synonyms

  • Baapap
  • Boc-ala-ala-pro-asp-pna

Systematic Name

  • L-alpha-Asparagine, N(sup 2)-(1-N-(N-((1,1-dimethylethoxy)carbonyl)-L-alanyl-L-alanyl)-L-prolyl)-N-(4-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 117722-96-0

System Generated Number

  • 0117722960

Structure Descriptors

InChI

1S/C26H36N6O10/c1-14(29-25(39)42-26(3,4)5)21(34)28-15(2)22(35)30-12-6-7-18(30)23(36)31(19(24(37)38)13-20(27)33)16-8-10-17(11-9-16)32(40)41/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3,(H2,27,33)(H,28,34)(H,29,39)(H,37,38)/t14-,15-,18-,19-/m0/s1

InChIKey

KZFLVDCDFDWRDZ-LNMJFAINSA-N

Smiles

C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(c2ccc(cc2)[N+](=O)[O-])[C@@H](CC(=O)N)C(=O)O)NC(=O)OC(C)(C)C