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Substance Name: L-Glutamine, L-valyl-L-valyl-L-seryl-L-threonylglycyl-L-leucyl-L-isoleucyl-L-glutaminyl-L-asparaginylglycyl-L-alpha-aspartyl-L-tryptophyl-L-threonyl-L-phenylalanyl-
RN: 129437-47-4
InChIKey: SYVDDLZQLQPSEK-OGTAVBGPSA-N

Molecular Formula

  • C75-H113-N19-O24

Molecular Weight

  • 1664.8267
 
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Names and Synonyms

Synonym

  • HLA-DR.B. Peptide(141-155)

Systematic Name

  • L-Glutamine, L-valyl-L-valyl-L-seryl-L-threonylglycyl-L-leucyl-L-isoleucyl-L-glutaminyl-L-asparaginylglycyl-L-alpha-aspartyl-L-tryptophyl-L-threonyl-L-phenylalanyl-

Registry Numbers

CAS Registry Number

  • 129437-47-4

System Generated Number

  • 0129437474

Structure Descriptors

InChI

1S/C75H113N19O24/c1-11-37(8)60(92-67(109)46(25-34(2)3)83-56(102)32-82-71(113)61(38(9)96)93-69(111)51(33-95)90-72(114)59(36(6)7)91-70(112)58(79)35(4)5)73(115)85-44(21-23-52(76)98)64(106)88-49(28-54(78)100)63(105)81-31-55(101)84-50(29-57(103)104)66(108)87-48(27-41-30-80-43-20-16-15-19-42(41)43)68(110)94-62(39(10)97)74(116)89-47(26-40-17-13-12-14-18-40)65(107)86-45(75(117)118)22-24-53(77)99/h12-20,30,34-39,44-51,58-62,80,95-97H,11,21-29,31-33,79H2,1-10H3,(H2,76,98)(H2,77,99)(H2,78,100)(H,81,105)(H,82,113)(H,83,102)(H,84,101)(H,85,115)(H,86,107)(H,87,108)(H,88,106)(H,89,116)(H,90,114)(H,91,112)(H,92,109)(H,93,111)(H,94,110)(H,103,104)(H,117,118)/t37-,38+,39+,44-,45-,46-,47-,48-,49-,50-,51-,58-,59-,60-,61-,62-/m0/s1

InChIKey

SYVDDLZQLQPSEK-OGTAVBGPSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N