Peptoid Calculator

How to use Peptoid Calculator

Peptoid Calculator is a peptoid chemical formula and molecular weight calculator and MS peak assignment tool.

Peptoid sequences can be entered using the multiple-letter building block codes listed below. Residues should be separated by dashes and repeat sequences indicated using parentheses, for example:

Nspe((NLys-Nspe-Nspe)2-NLys-Nspe)3-NLys

N- and C-termini can be selected from the predefined lists. Peptoid Calculator also accepts custom termini entered as chemical formulae.

MS peaks for assignment can be provided in the form of a comma-separated list and Peptoid Calculator will attempt to assign them to deletion sequences and/or adducts.

A ChemDraw file is automatically generated for each peptoid sequence entered, and can be downloaded via a link on the results page. It may be necessary to increase the document size in order to view the complete structure.

Predefined termini and building blocks currently supported are given below (with chemical formulae). Hovering over underlined building block codes will display molecular structures.

Please note that due to the implementation of a new naming scheme, formulae for the building blocks NTyr, NTrp, NArg, NHis and NCys have changed as of 16/09/15. In addition, the codes NNVa and NHLe have been replaced by NnVal and NhLeu respectively.

For information on building block naming please see the Peptoid Calculator building block nomenclature guidance.

The calculation functions of Peptoid Calculator can also be used in Microsoft Excel, see the add-in page for more information.

Please send comments, questions, residue requests and bug reports to:

Peptoid building block library data compiled by Hannah Bolt.

Building block letter codes

AStructureC3H5NO
CStructureC3H5NOS
DStructureC4H5NO3
EStructureC5H7NO3
FStructureC9H9NO
GStructureC2H3NO
HStructureC6H7N3O
IStructureC6H11NO
KStructureC6H12N2O
LStructureC6H11NO
MStructureC5H9NOS
NStructureC4H6N2O2
N1neStructureC13H11NO
NabStructureC6H12N2O
NaeStructureC4H8N2O
NahStructureC8H16N2O
NaiStructureC12H13NO
NamdStructureC4H6N2O2
NamyStructureC7H13NO
NapStructureC5H10N2O
NArgStructureC6H12N4O
NaryStructureC8H7NO
NAspStructureC4H6N2O2
NbnStructureC9H9NO
NBpheStructureC10H11NO
NbsaStructureC10H12N2O3S
NBspeStructureC11H13NO
NbutStructureC6H11NO
NceStructureC5H7NO3
NchStructureC9H15NO
NcmStructureC4H5NO3
NcpeStructureC7H11NO
NcprStructureC6H9NO
NCysStructureC3H5NOS
NdfbStructureC9H7F2NO
NdfeaStructureC4H5F2NO
NdpaStructureC16H15NO
NdpeStructureC16H15NO
NeaStructureC4H7NO
NfurStructureC7H7NO2
NGluStructureC5H7NO3
NhArgStructureC7H14N4O
NhCysStructureC4H7NOS
NheStructureC9H15NO3
NhHisStructureC7H9N3O
NHisStructureC6H7N3O
NhLeuStructureC7H13NO
NhoxStructureC2H3NO2
NhTrpStructureC12H12N2O
NhTyrStructureC10H11NO2
NiaStructureC7H13NO
NIleStructureC6H11NO
NimeStructureC7H9N3O
NioaStructureC8H6INO
NiprStructureC5H9NO
NLeuStructureC6H11NO
NLysStructureC6H12N2O
NmbnStructureC10H11NO
NmeStructureC5H9NO2
NmeoStructureC5H9NO2
NmfbStructureC9H8FNO
NmibStructureC9H8INO
NmoeStructureC5H9NO2
NmpStructureC8H8N2O2
NnapStructureC13H11NO
NnArgStructureC5H10N4O
NnValStructureC5H9NO
NooaStructureC8H7NO2
NpcbStructureC9H8ClNO
NpeStructureC10H11NO
NpfbStructureC9H8FNO
NpfpStructureC5H4F5NO
NphStructureC8H7NO
NphbStructureC9H9NO2
NpheStructureC9H9NO
NpiaStructureC8HINO
NpibStructureC9H8INO
NpipStructureC10H9NO3
NpmStructureC9H9NO
NpmbStructureC10H11NO2
NpnbStructureC9H8N2O3
NppStructureC9H14N2O2
NprpStructureC5H5NO
NpyrStructureC8H8N2O
Nr1neStructureC14H13NO
NrchStructureC10H17NO
NreeStructureC6H7NO
NrfbStructureC10H10FNO
NrmbStructureC7H13NO
NrnbStructureC1010N2O3
NrpeStructureC10H11NO
NrsbStructureC6H11NO
Ns1neStructureC14H13NO
NschStructureC10H17NO
NseeStructureC6H7NO
NsfbStructureC10H10FNO
NsmbStructureC7H13NO
NsnbStructureC1010N2O3
NspeStructureC10H11NO
NssbStructureC6H11NO
NteStructureC9H17NO4
NtfeStructureC4H4F3NO
NTrpStructureC11H10N2O
NTyrStructureC9H9NO2
PStructureC5H7NO
QStructureC5H8N2O2
RStructureC6H12N4O
SStructureC3H5NO2
TStructureC4H7NO2
UStructureC3H5NOSe
VStructureC5H9NO
WStructureC11H10N2O
YStructureC9H9NO2

Predefined N-termini

AcetylCH3CO
BenzylC8H9
FmocC15H11O2
MethylCH3

Predefined C-termini

Alloc DbzC11H12N3O3
AmideNH2
Benzyl esterC7H7O
DbzC7H8N3O
Ethyl 3-mercaptopropionateC5H9O2S
Methyl esterOCH3
N-acylureaC8H6N3O2
Sulfamyl RinkC4H9N2O3S
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