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histidyl-leucine   Click here for help

GtoPdb Ligand ID: 9485

Synonyms: His-leu | Histidylleucine | L-histidyl-L-leucine
Compound class: Peptide
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 NC(C(=O)NC(C(=O)O)CC(C)C)Cc1[nH]cnc1
Isomeric SMILES N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1[nH]cnc1
InChI InChI=1S/C12H20N4O3/c1-7(2)3-10(12(18)19)16-11(17)9(13)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)/t9-,10-/m0/s1
InChI Key MMFKFJORZBJVNF-UWVGGRQHSA-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
IUPAC Name Click here for help
H-His-Leu-OH
Synonyms Click here for help
His-leu | Histidylleucine | L-histidyl-L-leucine
Database Links Click here for help
ChEMBL Ligand CHEMBL90260
GtoPdb PubChem SID 329968425
PubChem CID 189008
Search Google for chemical match using the InChIKey MMFKFJORZBJVNF-UWVGGRQHSA-N
Search Google for chemicals with the same backbone MMFKFJORZBJVNF
UniChem Compound Search for chemical match using the InChIKey MMFKFJORZBJVNF-UWVGGRQHSA-N
UniChem Connectivity Search for chemical match using the InChIKey MMFKFJORZBJVNF-UWVGGRQHSA-N