Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C129H211N35O48 |
Molecular Weight | 3020.2613 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 24 / 24 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
InChI
InChIKey=VOUAQYXWVJDEQY-QENPJCQMSA-N
InChI=1S/C129H211N35O48/c1-58(2)42-77(155-113(195)74(31-39-102(184)185)151-127(209)105(65(15)16)162-114(196)71(25-32-88(131)167)145-95(174)54-141-126(208)104(64(13)14)161-115(197)72(26-33-89(132)168)150-118(200)80(45-61(7)8)156-121(203)83(48-103(186)187)159-112(194)73(30-38-101(182)183)148-107(189)67(18)143-109(191)69(130)24-36-99(178)179)111(193)138-50-93(172)135-49-92(171)136-55-98(177)163-40-20-22-86(163)124(206)140-51-94(173)142-66(17)106(188)137-52-96(175)146-84(56-165)122(204)157-81(46-62(9)10)119(201)152-75(27-34-90(133)169)128(210)164-41-21-23-87(164)125(207)160-78(43-59(3)4)116(198)144-68(19)108(190)154-79(44-60(5)6)117(199)149-70(29-37-100(180)181)110(192)139-53-97(176)147-85(57-166)123(205)158-82(47-63(11)12)120(202)153-76(129(211)212)28-35-91(134)170/h58-87,104-105,165-166H,20-57,130H2,1-19H3,(H2,131,167)(H2,132,168)(H2,133,169)(H2,134,170)(H,135,172)(H,136,171)(H,137,188)(H,138,193)(H,139,192)(H,140,206)(H,141,208)(H,142,173)(H,143,191)(H,144,198)(H,145,174)(H,146,175)(H,147,176)(H,148,189)(H,149,199)(H,150,200)(H,151,209)(H,152,201)(H,153,202)(H,154,190)(H,155,195)(H,156,203)(H,157,204)(H,158,205)(H,159,194)(H,160,207)(H,161,197)(H,162,196)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,211,212)/t66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,104-,105-/m0/s1
Molecular Formula | C129H211N35O48 |
Molecular Weight | 3020.2613 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 24 / 24 |
E/Z Centers | 21 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:09:31 GMT 2023
by
admin
on
Fri Dec 15 16:09:31 GMT 2023
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Record UNII |
O2J76Y002M
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Record Status |
Validated (UNII)
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Record Version |
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-
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O2J76Y002M
Created by
admin on Fri Dec 15 16:09:31 GMT 2023 , Edited by admin on Fri Dec 15 16:09:31 GMT 2023
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PRIMARY | |||
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59112-80-0
Created by
admin on Fri Dec 15 16:09:31 GMT 2023 , Edited by admin on Fri Dec 15 16:09:31 GMT 2023
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NO STRUCTURE GIVEN | |||
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C-peptide
Created by
admin on Fri Dec 15 16:09:31 GMT 2023 , Edited by admin on Fri Dec 15 16:09:31 GMT 2023
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PRIMARY | |||
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33017-11-7
Created by
admin on Fri Dec 15 16:09:31 GMT 2023 , Edited by admin on Fri Dec 15 16:09:31 GMT 2023
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PRIMARY | |||
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P01308
Created by
admin on Fri Dec 15 16:09:31 GMT 2023 , Edited by admin on Fri Dec 15 16:09:31 GMT 2023
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PRIMARY | |||
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DTXSID40105955
Created by
admin on Fri Dec 15 16:09:31 GMT 2023 , Edited by admin on Fri Dec 15 16:09:31 GMT 2023
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PRIMARY | |||
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16157840
Created by
admin on Fri Dec 15 16:09:31 GMT 2023 , Edited by admin on Fri Dec 15 16:09:31 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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DERIVATIVE -> PARENT |
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TOLEROGEN->TARGET |
Cytolytic CD4+ T cells eliminated autoreactive pathogenic T cells directed against this epitope and other epitopes presented on the same APC (bystander effect), thus protecting β-cells from autoimmune attack. Peptide designed to bind MHCII.
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