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Substance Name: FK 224
RN: 125787-94-2
InChIKey: BEWCDVTWUFJSSM-MBMPTNJISA-N

Note

  • Tachykinin receptor antagonist.

Molecular Formula

  • C54-H72-N8-O13

Molecular Weight

  • 1041.21
 
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Names and Synonyms

Name of Substance

  • FK 224

Synonyms

  • FK-224
  • N-(N(2)-(N-(N-(N-(2,3-Didehydro-N-methyl-N-(N-(3-(2-pentylphenyl)-propionyl)-L-threonyl)tyrosyl-L-leucyl)-D-phenylalanyl)-L-allo-threonyl)-L-asparaginyl))-L-serine-epsilon-lactone

Systematic Names

  • L-Serine, N-(1-oxo-3-(2-pentylphenyl)propyl)-L-threonyl-(alphaE)-alpha,beta-didehydro-N-methyltyrosyl-L-leucyl-D-phenylalanyl-L-allothreonyl-L-asparaginyl-, (7-1)-lactone
  • L-Serine, N-(N2-(N-(N-(N-(alpha,beta-didehydro-N-methyl-N-(N-(1-oxo-3-(2-pentylphenyl)propyl)-L-threonyl)tyrosyl)-L-leucyl)-D-phenylalanyl)-L-allothreonyl)-L-asparaginyl)-, nu-lactone

Registry Numbers

CAS Registry Number

  • 125787-94-2

System Generated Number

  • 0125787942

Structure Descriptors

InChI

1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)/b43-28-

InChIKey

BEWCDVTWUFJSSM-MBMPTNJISA-N

Smiles

N1[C@@H]([C@@H](O)C)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)O[C@@H]([C@@H](C(N(\C(=C/c2ccc(cc2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1=O)Cc1ccccc1)C)=O)NC(CCc1c(cccc1)CCCCC)=O)C)CC(=O)N