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Substance Name: L 668169
RN: 137012-28-3
InChIKey: LRAVSBVSGQKVAS-UHFFFAOYSA-N

Note

  • Tachykinin antagonist.

Molecular Formula

  • C82-H108-N16-O14-S2

Molecular Weight

  • 1605.9852
 
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Names and Synonyms

Name of Substance

  • L 668169

Synonyms

  • (3R-(1(S*(R*(S*))),3R*))-N-(2-(3-((N-(2-(3-Amino-2-oxo-1-pyrrolidinyl)-4-methyl-1-oxopentyl)-L-methionyl-L-glutaminyl-D-tryptophyl-N-methyl-L-phenylalanyl)amino)-2-oxo-1-pyrrolidinyl)-4-methyl-1-oxopentyl)-L-methionyl-L-glutaminyl-D-tryptophyl-N-methyl-L-phenylalanine cyclic (8-1)-peptide
  • Cyclo(gln-D-trp-N-mephe-(R)gly(anc-2)leumet)2
  • L 668,169
  • L 668169
  • L-668,169
  • L-668169

Systematic Names

  • L 668169
  • L-Phenylalanine, N-(2-(3-((N-(2-(3-amino-2-oxo-1-pyrrolidinyl)-4-methyl-1-oxopentyl)-L-methionyl-L-glutaminyl-D-tryptophyl-N-methyl-L-phenylalanyl)amino)-2-oxo-1-pyrrolidinyl)-4-methyl-1-oxopentyl)-L-methionyl-L-glutaminyl-D-tryptophyl-N-methyl-, cyclic (8-1)-peptide, (3R-(1(S*(R*(S*))),3R*))-

Registry Numbers

CAS Registry Number

  • 137012-28-3

System Generated Number

  • 0137012283

Structure Descriptors

InChI

1S/C82H108N16O14S2/c1-47(2)39-67-77(107)89-59(33-37-113-7)73(103)87-57(27-29-69(83)99)71(101)93-64(44-52-46-86-56-26-18-16-24-54(52)56)80(110)96(6)66(42-50-21-13-10-14-22-50)76(106)92-62-32-36-98(82(62)112)68(40-48(3)4)78(108)90-60(34-38-114-8)74(104)88-58(28-30-70(84)100)72(102)94-63(43-51-45-85-55-25-17-15-23-53(51)55)79(109)95(5)65(41-49-19-11-9-12-20-49)75(105)91-61-31-35-97(67)81(61)111/h9-26,45-48,57-68,85-86H,27-44H2,1-8H3,(H2,83,99)(H2,84,100)(H,87,103)(H,88,104)(H,89,107)(H,90,108)(H,91,105)(H,92,106)(H,93,101)(H,94,102)

InChIKey

LRAVSBVSGQKVAS-UHFFFAOYSA-N

Smiles

CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC2CCN(C2=O)C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC3CCN1C3=O)Cc4ccccc4)C)Cc5c[nH]c6c5cccc6)CCC(=O)N)CCSC)CC(C)C)Cc7ccccc7)C)Cc8c[nH]c9c8cccc9)CCC(=O)N)CCSC