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Substance Name: Ici 200880
RN: 105080-50-0
InChIKey: SMCMGLCPSSSOQE-NTZARQNWSA-N

Note

  • Synthetic peptide inhibitor of human neutrophil elastase.

Molecular Weight

  • 687.133
 
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Names and Synonyms

Name of Substance

  • Ici 200880

Synonyms

  • 4-(4-Chlorophenylsulfonylcarbamoyl)benzoyl-valyl-prolyl-1-(1-trifluoroacetyl-2-methylprolyl)amide
  • Ici 200,880

Systematic Name

  • L-Prolinamide, N-(4-((((4-chlorophenyl)sulfonyl)amino)carbonyl)benzoyl)-L-valyl-N-(3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl)-

Registry Numbers

CAS Registry Number

  • 105080-50-0

System Generated Number

  • 0105080500

Structure Descriptors

InChI

1S/C30H34ClF3N4O7S/c1-16(2)23(29(43)36-28(42)22-6-5-15-38(22)24(17(3)4)25(39)30(32,33)34)35-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,40)(H,37,41)(H,36,42,43)/t22-,23-,24?/m0/s1

InChIKey

SMCMGLCPSSSOQE-NTZARQNWSA-N

Smiles

C([C@H]1[N@@](CCC1)[C@@H](C(C(F)(F)F)=O)C(C)C)(=O)NC([C@@H](NC(c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(cc1)Cl)=O)C(C)C)=O