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γ-iE-DAP   Click here for help

GtoPdb Ligand ID: 9504

Synonyms: γ-D-glutamyl-meso-diaminopimelic acid | Gamma-D-Glu-mDAP | Gamma-d-glutamyl-meso-diaminopimelic acid | iE-DAP
Compound class: Peptide
Comment: An analog of meso-DAP.
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES O=C(NC(C(=O)O)CCCC(C(=O)O)N)CCC(C(=O)O)N
Isomeric SMILES O=C(N[C@@H](C(=O)O)CCC[C@@H](C(=O)O)N)CC[C@H](C(=O)O)N
InChI InChI=1S/C12H21N3O7/c13-6(10(17)18)2-1-3-8(12(21)22)15-9(16)5-4-7(14)11(19)20/h6-8H,1-5,13-14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,8+/m0/s1
InChI Key QIFGMZZTJRULMA-XLPZGREQSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Peptide
Synonyms Click here for help
γ-D-glutamyl-meso-diaminopimelic acid | Gamma-D-Glu-mDAP | Gamma-d-glutamyl-meso-diaminopimelic acid | iE-DAP
Database Links Click here for help
GtoPdb PubChem SID 329968443
PubChem CID 45480617
Search Google for chemical match using the InChIKey QIFGMZZTJRULMA-XLPZGREQSA-N
Search Google for chemicals with the same backbone QIFGMZZTJRULMA
UniChem Compound Search for chemical match using the InChIKey QIFGMZZTJRULMA-XLPZGREQSA-N
UniChem Connectivity Search for chemical match using the InChIKey QIFGMZZTJRULMA-XLPZGREQSA-N