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Substance Name: Substance P (4-11), pro(4)-trp(7,9)-phenh2(11)-
RN: 89430-36-4
InChIKey: QPXOVYCKUUDRQK-NKPJFHFGSA-N

Note

  • Substance P antagonist; tachykinin antagonist.

Molecular Formula

  • C61-H75-N13-O10

Molecular Weight

  • 1150.3445
 
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Names and Synonyms

Name of Substance

  • Substance P (4-11), pro(4)-trp(7,9)-phenh2(11)-

Synonyms

  • 4-Pro-7,9-trp-11-phenh2-substance P (4-11)
  • Pttp-substance P (4-11)
  • Substance P (4-11), prolyl(4)-tryptophyl(7,9)-phenylalaninamide(11)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 89430-36-4

System Generated Number

  • 0089430364

Structure Descriptors

InChI

1S/C61H75N13O10/c1-35(2)28-48(58(81)70-47(54(64)77)29-36-14-5-3-6-15-36)71-60(83)51(32-39-34-67-43-21-12-10-19-41(39)43)74-59(82)49(30-37-16-7-4-8-17-37)72-61(84)50(31-38-33-66-42-20-11-9-18-40(38)42)73-57(80)46(24-26-53(63)76)69-56(79)45(23-25-52(62)75)68-55(78)44-22-13-27-65-44/h3-12,14-21,33-35,44-51,65-67H,13,22-32H2,1-2H3,(H2,62,75)(H2,63,76)(H2,64,77)(H,68,78)(H,69,79)(H,70,81)(H,71,83)(H,72,84)(H,73,80)(H,74,82)/t44-,45+,46+,47+,48+,49+,50-,51-/m1/s1

InChIKey

QPXOVYCKUUDRQK-NKPJFHFGSA-N

Smiles

c1(c[nH]c2c1cccc2)C[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1NCCC1)CCC(=O)N)CCC(=O)N)Cc1c[nH]c2c1cccc2)Cc1ccccc1