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Substance Name: GR 94800
RN: 141636-65-9
InChIKey: CWEISCOCKRHHOU-UJYVDGJVSA-N

Note

  • A selective NK2 heptapeptide antagonist.

Molecular Formula

  • C49-H61-N9-O8

Molecular Weight

  • 904.076
 
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Names and Synonyms

Name of Substance

  • GR 94800

Synonyms

  • GR-94800
  • N-alpha-Benzoylalanyl-alanyl-tryptophyl-phenylalanyl-prolyl-prolyl-norleucinamide
  • Nalpha-Benzoyl-ala-ala-D-trp-phe-D-pro-pro-nle-NH2

Systematic Name

  • L-Norleucinamide, N-benzoyl-L-alanyl-L-alanyl-D-tryptophyl-L-phenylalanyl-D-prolyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 141636-65-9

System Generated Number

  • 0141636659

Structure Descriptors

InChI

1S/C49H61N9O8/c1-4-5-21-37(42(50)59)54-47(64)40-23-14-25-57(40)49(66)41-24-15-26-58(41)48(65)39(27-32-16-8-6-9-17-32)56-46(63)38(28-34-29-51-36-22-13-12-20-35(34)36)55-44(61)31(3)52-43(60)30(2)53-45(62)33-18-10-7-11-19-33/h6-13,16-20,22,29-31,37-41,51H,4-5,14-15,21,23-28H2,1-3H3,(H2,50,59)(H,52,60)(H,53,62)(H,54,64)(H,55,61)(H,56,63)/t30-,31-,37-,38+,39-,40-,41+/m0/s1

InChIKey

CWEISCOCKRHHOU-UJYVDGJVSA-N

Smiles

C([C@@H](NC([C@H]1N(CCC1)C([C@@H]1N(CCC1)C([C@@H](NC([C@H](NC([C@@H](NC([C@@H](NC(c1ccccc1)=O)C)=O)C)=O)Cc1c[nH]c2ccccc12)=O)Cc1ccccc1)=O)=O)=O)CCCC)(=O)N