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Substance Name: Mdl 27013
RN: 123285-45-0
InChIKey: DLPRJHJSRIDQNC-WSMBLCCSSA-N

Note

  • A derivative of methoxysuccinyl-alanyl-alanyl-prolyl-valine, with the terminal carboxylate replaced by trifluoromethylketone.

Molecular Formula

  • C22-H33-F3-N4-O7

Molecular Weight

  • 522.518
 
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Names and Synonyms

Name of Substance

  • Mdl 27013

Synonym

  • Mdl 27,013

Systematic Name

  • L-Prolinamide, N-(4-methoxy-1,4-dioxobutyl)-L-alanyl-L-alanyl-N-(3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 123285-45-0

System Generated Number

  • 0123285450

Structure Descriptors

InChI

1S/C22H33F3N4O7/c1-11(2)17(18(32)22(23,24)25)29-10-6-7-14(29)21(35)28-20(34)13(4)27-19(33)12(3)26-15(30)8-9-16(31)36-5/h11-14,17H,6-10H2,1-5H3,(H,26,30)(H,27,33)(H,28,34,35)/t12-,13-,14-,17-/m0/s1

InChIKey

DLPRJHJSRIDQNC-WSMBLCCSSA-N

Smiles

C([C@H]1[N@@](CCC1)[C@H](C(C(F)(F)F)=O)C(C)C)(=O)NC([C@@H](NC([C@@H](NC(CCC(=O)OC)=O)C)=O)C)=O