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Substance Name: Gliadin peptide CT-1
RN: 102362-76-5
InChIKey: RSIMKLSSMFABEO-KYTWZKKBSA-N

Note

  • Coeliac activity similar to B 3142.

Molecular Formula

  • C109-H175-N31-O35

Molecular Weight

  • 2479.76
 
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Names and Synonyms

Name of Substance

  • Gliadin peptide CT-1

Synonym

  • Gliadin peptide B 3142 (1-22)

Systematic Name

  • L-Leucine, L-valyl-L-prolyl-L-valyl-L-prolyl-L-glutaminyl-L-leucyl-L-glutaminyl-L-prolyl-L-glutaminyl-L-asparaginyl-L-prolyl-L-seryl-L-glutaminyl-L-glutaminyl-L-glutaminyl-L-prolyl-L-glutaminyl-L-L-alpha-glutamyl-L-glutaminyl-L-valyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 102362-76-5

System Generated Number

  • 0102362765

Structure Descriptors

InChI

1S/C109H175N31O35/c1-51(2)47-65(129-92(157)59(26-35-78(113)145)125-99(164)72-20-15-45-139(72)108(173)87(55(9)10)134-102(167)74-22-14-44-138(74)106(171)85(119)53(5)6)95(160)128-64(30-39-82(117)149)104(169)136-42-12-18-70(136)98(163)126-60(27-36-79(114)146)93(158)130-66(49-83(118)150)105(170)137-43-13-19-71(137)101(166)132-68(50-141)96(161)123-56(23-32-75(110)142)88(153)120-57(24-33-76(111)143)91(156)127-63(29-38-81(116)148)103(168)135-41-11-17-69(135)97(162)124-58(25-34-77(112)144)89(154)122-62(31-40-84(151)152)90(155)121-61(28-37-80(115)147)94(159)133-86(54(7)8)107(172)140-46-16-21-73(140)100(165)131-67(109(174)175)48-52(3)4/h51-74,85-87,141H,11-50,119H2,1-10H3,(H2,110,142)(H2,111,143)(H2,112,144)(H2,113,145)(H2,114,146)(H2,115,147)(H2,116,148)(H2,117,149)(H2,118,150)(H,120,153)(H,121,155)(H,122,154)(H,123,161)(H,124,162)(H,125,164)(H,126,163)(H,127,156)(H,128,160)(H,129,157)(H,130,158)(H,131,165)(H,132,166)(H,133,159)(H,134,167)(H,151,152)(H,174,175)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-,86-,87-/m0/s1

InChIKey

RSIMKLSSMFABEO-KYTWZKKBSA-N

Smiles

N[C@H](C(N1[C@H](C(N[C@H](C(N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N2[C@H](C(N[C@H](C(N[C@H](C(N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5[C@H](C(=O)N[C@H](C(O)=O)CC(C)C)CCC5)C(C)C)CCC(=O)N)CCC(=O)O)CCC(=O)N)CCC4)CCC(=O)N)CCC(=O)N)CCC(=O)N)CO)CCC3)=O)CC(=O)N)=O)CCC(=O)N)=O)CCC2)=O)CCC(=O)N)=O)CC(C)C)CCC(=O)N)=O)C(C)C)=O)CCC1)=O)C(C)C