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Substance Name: Substance P, arg(1)-pro(2)-trp(7,9)-leu(11)-
RN: 83374-71-4
InChIKey: JRNFDWFXUSDMHP-ZPUKDRMSSA-N

Molecular Formula

  • C75-H107-N19-O14

Molecular Weight

  • 1498.79
 
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Names and Synonyms

Name of Substance

  • Substance P, arg(1)-pro(2)-trp(7,9)-leu(11)-

Synonyms

  • 1-Arg-2-pro-7,9-trp-11-leu-substance P
  • Apttlsp
  • Substance P, arginyl(1)-prolyl(2)-tryptophyl(7,9)-leucine(11)-

Systematic Name

  • Substance P, 1-D-arginine-2-D-proline-7-D-tryptophan-9-D-tryptophan-11-D-leucine

Registry Numbers

CAS Registry Number

  • 83374-71-4

System Generated Number

  • 0083374714

Structure Descriptors

InChI

1S/C75H107N19O14/c1-42(2)35-55(66(99)92-59(74(107)108)36-43(3)4)88-68(101)58(39-46-41-84-51-23-11-9-20-48(46)51)91-67(100)56(37-44-17-6-5-7-18-44)89-69(102)57(38-45-40-83-50-22-10-8-19-47(45)50)90-65(98)52(27-29-62(78)95)85-64(97)53(28-30-63(79)96)86-70(103)61-26-16-34-94(61)73(106)54(24-12-13-31-76)87-71(104)60-25-15-33-93(60)72(105)49(77)21-14-32-82-75(80)81/h5-11,17-20,22-23,40-43,49,52-61,83-84H,12-16,21,24-39,76-77H2,1-4H3,(H2,78,95)(H2,79,96)(H,85,97)(H,86,103)(H,87,104)(H,88,101)(H,89,102)(H,90,98)(H,91,100)(H,92,99)(H,107,108)(H4,80,81,82)/t49-,52+,53+,54+,55+,56+,57-,58?,59?,60-,61+/m1/s1

InChIKey

JRNFDWFXUSDMHP-ZPUKDRMSSA-N

Smiles

C1[C@H](C(N[C@H](C(N2CCC[C@H]2C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](Cc2c[nH]c3ccccc23)C(N[C@@H](CC(C)C)C(=O)N[C@@H](C(O)=O)CC(C)C)=O)=O)Cc2ccccc2)=O)Cc2c[nH]c3ccccc23)=O)CCC(N)=O)=O)CCC(N)=O)=O)=O)CCCCN)=O)N(CC1)C(=O)[C@@H](CCCNC(N)=N)N