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Substance Name: Substance P, arg(1)-pro(2)-trp(7,9)-
RN: 83440-04-4
InChIKey: ARZXOJGZBACSSO-QNSKHYHHSA-N

Note

  • Substance P antagonist.

Molecular Formula

  • C74-H106-N20-O13-S

Molecular Weight

  • 1515.8444
 
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Names and Synonyms

Name of Substance

  • Substance P, arg(1)-pro(2)-trp(7,9)-

Synonyms

  • 1-Arg-2-pro-7,9-trp-substance P
  • Apttsp
  • Substance P, arginyl(1)-prolyl(2)-tryptophan(7,9)-

Systematic Name

  • Substance P, 1-D-arginine-2-D-proline-7-D-tryptophan-9-D-tryptophan-

Registry Numbers

CAS Registry Number

  • 83440-04-4

System Generated Number

  • 0083440044

Structure Descriptors

InChI

1S/C74H106N20O13S/c1-42(2)36-55(66(100)85-51(63(79)97)30-35-108-3)89-68(102)58(39-45-41-84-50-22-10-8-19-47(45)50)92-67(101)56(37-43-16-5-4-6-17-43)90-69(103)57(38-44-40-83-49-21-9-7-18-46(44)49)91-65(99)52(26-28-61(77)95)86-64(98)53(27-29-62(78)96)87-70(104)60-25-15-34-94(60)73(107)54(23-11-12-31-75)88-71(105)59-24-14-33-93(59)72(106)48(76)20-13-32-82-74(80)81/h4-10,16-19,21-22,40-42,48,51-60,83-84H,11-15,20,23-39,75-76H2,1-3H3,(H2,77,95)(H2,78,96)(H2,79,97)(H,85,100)(H,86,98)(H,87,104)(H,88,105)(H,89,102)(H,90,103)(H,91,99)(H,92,101)(H4,80,81,82)/t48-,51+,52+,53+,54+,55+,56+,57-,58-,59-,60+/m1/s1

InChIKey

ARZXOJGZBACSSO-QNSKHYHHSA-N

Smiles

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@H](N)CCCNC(=N)N)C(=O)N