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Substance Name: Substance P (4-11)
RN: 53749-60-3
InChIKey: XVTHVTVZLLFSPI-YJPQGOKNSA-N

Molecular Formula

  • C46-H67-N11-O10-S

Molecular Weight

  • 966.168
 
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Names and Synonyms

Name of Substance

  • Substance P (4-11)

Synonyms

  • 1-Dearginyl-2-deprolyl-3-delysine-substance P
  • 1-Des-arg-2-des-pro-3-des-lys-substance P
  • SP(4-11)
  • Substance P octapeptide
  • Substance P, dearginyl(1)-deprolyl(2)-delysine(3)-

Systematic Name

  • Substance P (peptide), 1-de-L-arginine-2-de-L-proline-3-de-L-lysine-

Registry Numbers

CAS Registry Number

  • 53749-60-3

System Generated Number

  • 0053749603

Structure Descriptors

InChI

1S/C46H67N11O10S/c1-27(2)23-34(45(66)53-30(40(49)61)20-22-68-3)52-39(60)26-51-41(62)35(24-28-11-6-4-7-12-28)56-46(67)36(25-29-13-8-5-9-14-29)57-44(65)33(17-19-38(48)59)55-43(64)32(16-18-37(47)58)54-42(63)31-15-10-21-50-31/h4-9,11-14,27,30-36,50H,10,15-26H2,1-3H3,(H2,47,58)(H2,48,59)(H2,49,61)(H,51,62)(H,52,60)(H,53,66)(H,54,63)(H,55,64)(H,56,67)(H,57,65)/t30-,31?,32-,33-,34?,35-,36-/m0/s1

InChIKey

XVTHVTVZLLFSPI-YJPQGOKNSA-N

Smiles

C(N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C(N[C@H](C(N)=O)CCSC)=O)CC(C)C)Cc1ccccc1)([C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]1NCCC1)CCC(N)=O)=O