U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
Structure of HUMAN C-PEPTIDE

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

HIDE SMILES / InChI

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 Fri Dec 15 16:09:31 UTC 2023
Edited
by admin
on Fri Dec 15 16:09:31 UTC 2023
Record UNII
O2J76Y002M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HUMAN C-PEPTIDE
Common Name English
L-Glutamine, L-α-glutamyl-L-alanyl-L-α-glutamyl-L-α-aspartyl-L-leucyl-L-glutaminyl-L-valylglycyl-L-glutaminyl-L-valyl-L-α-glutamyl-L-leucylglycylglycylglycyl-L-prolylglycyl-L-alanylglycyl-L-seryl-L-leucyl-L-glutaminyl-L-prolyl-L-leucyl-L-alanyl-L-leu
Systematic Name English
C-PEPTIDE
Common Name English
PROINSULIN CONNECTING PEPTIDE (HUMAN), 1-DE-L-ARGININE-2-DE-L-ARGININE-34-DE-L-LYSINE-35-DE-L-ARGININE-
Common Name English
NMIJ-CRM 6901A
Common Name English
INSULIN C-PEPTIDE
Common Name English
GLU-ALA-GLU-ASP-LEU-GLN-VAL-GLY-GLN-VAL-GLU-LEU-GLY-GLY-GLY-PRO-GLY-ALA-GLY-SER-LEU-GLN-PRO-LEU-ALA-LEU-GLU-GLY-SER-LEU-GLN
Common Name English
Code System Code Type Description
FDA UNII
O2J76Y002M
Created by admin on Fri Dec 15 16:09:31 UTC 2023 , Edited by admin on Fri Dec 15 16:09:31 UTC 2023
PRIMARY
CAS
59112-80-0
Created by admin on Fri Dec 15 16:09:31 UTC 2023 , Edited by admin on Fri Dec 15 16:09:31 UTC 2023
NO STRUCTURE GIVEN
WIKIPEDIA
C-peptide
Created by admin on Fri Dec 15 16:09:31 UTC 2023 , Edited by admin on Fri Dec 15 16:09:31 UTC 2023
PRIMARY
CAS
33017-11-7
Created by admin on Fri Dec 15 16:09:31 UTC 2023 , Edited by admin on Fri Dec 15 16:09:31 UTC 2023
PRIMARY
UNIPROT
P01308
Created by admin on Fri Dec 15 16:09:31 UTC 2023 , Edited by admin on Fri Dec 15 16:09:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID40105955
Created by admin on Fri Dec 15 16:09:31 UTC 2023 , Edited by admin on Fri Dec 15 16:09:31 UTC 2023
PRIMARY
PUBCHEM
16157840
Created by admin on Fri Dec 15 16:09:31 UTC 2023 , Edited by admin on Fri Dec 15 16:09:31 UTC 2023
PRIMARY
Related Record Type Details
DERIVATIVE -> PARENT
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.