[3H]d[D-Arg8]VP   Click here for help

GtoPdb Ligand ID: 5403

Synonyms: [3H]-d[D-Arg8]VP | [3H][D-Arg8]vasopressin | [3H]DAVP
 Ligand is labelled  Ligand is radioactive
Compound class: Peptide
Comment: This is a radio-labelled vasopressin analogue.
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 SCC(C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CS)N)Cc1ccc(cc1)O)Cc1ccccc1)CCC(=O)N)CC(=O)N
Isomeric SMILES NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O
InChI InChI=1S/C46H67N15O12S2/c47-27(22-74)38(66)57-30(19-25-10-12-26(62)13-11-25)42(70)58-31(18-24-6-2-1-3-7-24)41(69)55-29(14-15-35(48)63)40(68)59-32(20-36(49)64)43(71)60-33(23-75)45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65/h1-3,6-7,10-13,27-34,62,74-75H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28+,29-,30-,31-,32-,33-,34-/m0/s1
InChI Key MIFHTMACYGHZKT-FRPRKMAFSA-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/)
Peptide Sequence Click here for help
CYFQNCPRG
Cys-Tyr-Phe-Gln-Asn-Cys-Pro-D-Arg-Gly-NH2
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Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel