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RFRP-2   Click here for help

GtoPdb Ligand ID: 5373

Synonyms: neuropeptide RFRP-2
Compound class: Endogenous peptide in human, mouse or rat
Comment: This sequence is predicted by similarity to other species
Species: Human
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 OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CO)CCCN=C(N)N)CC(C)C)CC(C)C)CC(=O)N)C)C(O)C)C)C)N
Isomeric SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O
InChI InChI=1S/C48H84N16O17/c1-21(2)15-29(42(75)58-28(11-9-13-53-48(51)52)41(74)62-32(20-66)47(80)81)60-44(77)33-12-10-14-64(33)46(79)31(16-22(3)4)61-43(76)30(17-34(50)68)59-38(71)25(7)57-45(78)36(26(8)67)63-39(72)24(6)55-35(69)18-54-37(70)23(5)56-40(73)27(49)19-65/h21-33,36,65-67H,9-20,49H2,1-8H3,(H2,50,68)(H,54,70)(H,55,69)(H,56,73)(H,57,78)(H,58,75)(H,59,71)(H,60,77)(H,61,76)(H,62,74)(H,63,72)(H,80,81)(H4,51,52,53)/t23-,24-,25-,26+,27-,28-,29-,30-,31-,32-,33-,36-/m0/s1
InChI Key VKPILWKQJZPQOB-LBVMNVMQSA-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/)
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