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Substance Name: FR 113680
RN: 126088-92-4
InChIKey: GUMFSDXELXANKA-KGLGFYCJSA-N

Note

  • Substance P and tachykinin receptor antagonist.

Molecular Formula

  • C35-H39-N5-O6

Molecular Weight

  • 625.722
 
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Names and Synonyms

Name of Substance

  • FR 113680

Synonyms

  • Ac-Thr-trp(cho)-phe-N-mebzl
  • FR-113680
  • N(alpha)-(N(alpha)-(N(alpha)-Acetylthreonyl)-N(1)-formyltryptophyl)-N-methyl-N-(phenylmethyl)phenylalaninamide

Systematic Name

  • L-Phenylalaninamide, N-acetyl-L-threonyl-1-formyl-D-tryptophyl-N-methyl-N-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 126088-92-4

System Generated Number

  • 0126088924

Structure Descriptors

InChI

1S/C35H39N5O6/c1-23(42)32(37-24(2)43)35(46)40(33(44)29(36)19-27-21-39(22-41)30-17-11-10-16-28(27)30)34(45)31(18-25-12-6-4-7-13-25)38(3)20-26-14-8-5-9-15-26/h4-17,21-23,29,31-32,42H,18-20,36H2,1-3H3,(H,37,43)/t23-,29-,31+,32+/m1/s1

InChIKey

GUMFSDXELXANKA-KGLGFYCJSA-N

Smiles

C([C@@H]([N@@](Cc1ccccc1)C)Cc1ccccc1)(=O)N(C([C@H](N)Cc1cn(c2ccccc12)C=O)=O)C([C@@H](NC(=O)C)[C@@H](C)O)=O