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Substance Name: MEN 10376
RN: 135306-85-3
InChIKey: QQHOFZNACVKNHK-SXVLBCBNSA-N

Note

  • Tachykinin receptor antagonist.

Molecular Formula

  • C57-H68-N12-O10

Molecular Weight

  • 1081.24
 
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Names and Synonyms

Results Name

  • MEN 10376

Name of Substance

  • Neurokinin A(4-10), tyr(5)-trp(6,8,9)-lys(10)-

Synonyms

  • 5-Tyr-6,8,9-trp-10-lys-neurokinin A (4-10)
  • MEN 10376
  • Neurokinin A(4-10), tyrosyl(5)-tryptophyl(6,8,9)-lysine(10)-

Systematic Name

  • L-Lysinamide, L-alpha-aspartyl-L-tyrosyl-D-tryptophyl-L-valyl-D-tryptophyl-D-tryptophyl-

Registry Numbers

CAS Registry Number

  • 135306-85-3

System Generated Number

  • 0135306853

Structure Descriptors

InChI

1S/C57H68N12O10/c1-31(2)50(69-56(78)48(26-35-30-63-43-16-8-5-13-39(35)43)67-53(75)45(23-32-18-20-36(70)21-19-32)65-52(74)40(59)27-49(71)72)57(79)68-47(25-34-29-62-42-15-7-4-12-38(34)42)55(77)66-46(24-33-28-61-41-14-6-3-11-37(33)41)54(76)64-44(51(60)73)17-9-10-22-58/h3-8,11-16,18-21,28-31,40,44-48,50,61-63,70H,9-10,17,22-27,58-59H2,1-2H3,(H2,60,73)(H,64,76)(H,65,74)(H,66,77)(H,67,75)(H,68,79)(H,69,78)(H,71,72)/t40-,44-,45-,46+,47+,48+,50-/m0/s1

InChIKey

QQHOFZNACVKNHK-SXVLBCBNSA-N

Smiles

C(N[C@@H](C(N[C@@H](C(N[C@H](C(=O)N)CCCCN)=O)Cc1c[nH]c2c1cccc2)=O)Cc1c[nH]c2c1cccc2)([C@@H](NC([C@H](NC([C@@H](NC([C@H](CC(=O)O)N)=O)Cc1ccc(O)cc1)=O)Cc1c[nH]c2c1cccc2)=O)C(C)C)=O