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Substance Name: Substance P (4-11), pro(4)-trp(7,9)-leunh2(11)-
RN: 87026-40-2
InChIKey: LWEZILNLDGVHAN-RTIBYWRHSA-N

Note

  • Substance P antagonist.

Molecular Formula

  • C58-H77-N13-O10

Molecular Weight

  • 1116.33
 
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Names and Synonyms

Name of Substance

  • Substance P (4-11), pro(4)-trp(7,9)-leunh2(11)-

Synonyms

  • 4-Pro-7,9-trp-11-leunh2-substance P (4-11)
  • Pts-substance P (4-11)
  • Substance P (4-11),prolyl(4)-tryptophyl(7,9)-leucinamide(11)-

Systematic Name

  • L-Leucinamide, D-prolyl-L-glutaminyl-L-glutaminyl-D-tryptophyl-L-phenylalanyl-D-tryptophyl-L-leucyl-

Registry Numbers

CAS Registry Number

  • 87026-40-2

System Generated Number

  • 0087026402

Structure Descriptors

InChI

1S/C58H77N13O10/c1-32(2)25-44(51(61)74)67-55(78)45(26-33(3)4)68-57(80)48(29-36-31-64-40-18-11-9-16-38(36)40)71-56(79)46(27-34-13-6-5-7-14-34)69-58(81)47(28-35-30-63-39-17-10-8-15-37(35)39)70-54(77)43(21-23-50(60)73)66-53(76)42(20-22-49(59)72)65-52(75)41-19-12-24-62-41/h5-11,13-18,30-33,41-48,62-64H,12,19-29H2,1-4H3,(H2,59,72)(H2,60,73)(H2,61,74)(H,65,75)(H,66,76)(H,67,78)(H,68,80)(H,69,81)(H,70,77)(H,71,79)/t41-,42+,43?,44+,45+,46+,47-,48-/m1/s1

InChIKey

LWEZILNLDGVHAN-RTIBYWRHSA-N

Smiles

C1CCN[C@H]1C(N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(N[C@@H](C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N)=O)=O)Cc1c[nH]c2ccccc12)=O)Cc1c[nH]c2ccccc12)=O)CCC(N)=O)=O