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Substance Name: N-Acetyl-cholera toxin (50-64)-3-amide
RN: 132177-90-3
InChIKey: DEDCJMYTEFOQMA-IWIMAGCOSA-N

Note

  • CTP3 corresponds to residues 50-64 of the B subunit of cholera toxin, that is, VEVPGSQHIDSQKKA.

Molecular Weight

  • 1663.8432
 
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Names and Synonyms

Name of Substance

  • N-Acetyl-cholera toxin (50-64)-3-amide

Synonyms

  • N-Ac-Ctp3-amide
  • N-Acetyl-cholera toxin (50-64)-amide
  • N-Acetyl-cholera toxin peptide 3-amide

Registry Numbers

CAS Registry Number

  • 132177-90-3

System Generated Number

  • 0132177903

Structure Descriptors

InChI

1S/C71H118N22O24/c1-9-36(6)57(70(116)89-46(28-54(102)103)64(110)90-48(32-95)67(113)86-42(18-21-50(74)97)61(107)84-41(16-11-13-25-73)60(106)83-40(15-10-12-24-72)59(105)80-37(7)58(76)104)92-65(111)45(27-39-29-77-33-79-39)88-62(108)43(19-22-51(75)98)85-66(112)47(31-94)82-52(99)30-78-68(114)49-17-14-26-93(49)71(117)56(35(4)5)91-63(109)44(20-23-53(100)101)87-69(115)55(34(2)3)81-38(8)96/h29,33-37,39-49,55-57,94-95H,9-28,30-32,72-73H2,1-8H3,(H2,74,97)(H2,75,98)(H2,76,104)(H,78,114)(H,80,105)(H,81,96)(H,82,99)(H,83,106)(H,84,107)(H,85,112)(H,86,113)(H,87,115)(H,88,108)(H,89,116)(H,90,110)(H,91,109)(H,92,111)(H,100,101)(H,102,103)/t36-,37-,39?,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-,57-/m0/s1

InChIKey

DEDCJMYTEFOQMA-IWIMAGCOSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CC1C=NC=N1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C