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Substance Name: Gliadin peptide A (206-217)
RN: 115288-29-4
InChIKey: OZVVOATXJAQRMF-YRYMBYOHSA-N

Molecular Formula

  • C55-H87-N19-O19

Molecular Weight

  • 1318.41
 
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Names and Synonyms

Name of Substance

  • Gliadin peptide A (206-217)

Synonym

  • A-Gliadin peptide (206-217)

Systematic Name

  • L-Asparagine, N2-(N2-(N2-(N-(1-(N2-(N-(N-(N-(N2-(N-L-leucylglycyl)-L-glutaminyl)glycyl)-L-seryl)-phenylalanyl)-L-arginyl)-L-prolyl)-L-seryl)-L-glutaminyl)-L-glutaminyl)-

Registry Numbers

CAS Registry Number

  • 115288-29-4

System Generated Number

  • 0115288294

Structure Descriptors

InChI

1S/C55H87N19O19/c1-27(2)20-29(56)45(83)64-23-43(81)66-30(12-15-39(57)77)46(84)65-24-44(82)67-36(25-75)50(88)71-34(21-28-8-4-3-5-9-28)49(87)70-33(10-6-18-63-55(61)62)53(91)74-19-7-11-38(74)52(90)73-37(26-76)51(89)69-31(13-16-40(58)78)47(85)68-32(14-17-41(59)79)48(86)72-35(54(92)93)22-42(60)80/h3-5,8-9,27,29-38,75-76H,6-7,10-26,56H2,1-2H3,(H2,57,77)(H2,58,78)(H2,59,79)(H2,60,80)(H,64,83)(H,65,84)(H,66,81)(H,67,82)(H,68,85)(H,69,89)(H,70,87)(H,71,88)(H,72,86)(H,73,90)(H,92,93)(H4,61,62,63)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1

InChIKey

OZVVOATXJAQRMF-YRYMBYOHSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC(CNC([C@@H](N)CC(C)C)=O)=O)CCC(=O)N)=O)=O)CO)=O)Cc1ccccc1)=O)CCCNC(=N)N)=O)=O)CO)=O)CCC(=O)N)=O)CCC(=O)N)=O)CC(=O)N)(=O)O