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Substance Name: Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-
RN: 125741-45-9
InChIKey: GLGUHGRWNFNRGK-RRARUZKLSA-N

Molecular Formula

  • C45-H65-N7-O13-S

Molecular Weight

  • 944.11
 
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Names and Synonyms

Name of Substance

  • Substance P (6-11), N(1,6)(beta-glucopyranosyl)glu(5)-pro(9)-

Synonyms

  • 5-N(1,6)(beta-Glucopyranosyl)glu-9-pro-substance P (6-11)
  • BG-Glu-pro-SP(6-11)
  • Substance P (6-11), N(1,6)(beta-glucopyranosyl)glutamyl(5)-proline(9)-

Registry Numbers

CAS Registry Number

  • 125741-45-9

System Generated Number

  • 0125741459

Structure Descriptors

InChI

1S/C45H65N7O13S/c1-25(2)21-31(50-40(60)29-15-10-19-47-29)41(61)48-30(18-20-66-3)43(63)52(45-38(58)37(57)36(56)34(24-53)65-45)44(64)33(23-27-13-8-5-9-14-27)51-42(62)32(22-26-11-6-4-7-12-26)49-39(59)28(46)16-17-35(54)55/h4-9,11-14,25,28-34,36-38,45,47,53,56-58H,10,15-24,46H2,1-3H3,(H,48,61)(H,49,59)(H,50,60)(H,51,62)(H,54,55)/t28-,29-,30-,31-,32-,33-,34+,36+,37-,38+,45+/m0/s1

InChIKey

GLGUHGRWNFNRGK-RRARUZKLSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@H]1NCCC1)=O)CC(C)C)=O)CCSC)(=O)N(C([C@@H](NC([C@@H](NC([C@@H](N)CCC(=O)O)=O)Cc1ccccc1)=O)Cc1ccccc1)=O)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO