DPDPE   Click here for help

GtoPdb Ligand ID: 1608

Synonyms: 2,5-pen-enkephalin | D-penicillamine (2,5)-enkephalin | DPLPE
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES O=C1CNC(=O)C(NC(=O)C(Cc2ccc(cc2)O)N)C(C)(C)SSC(C(NC(=O)C(N1)Cc1ccccc1)C(=O)O)(C)C
Isomeric SMILES O=C1CNC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)N)C(C)(C)SSC([C@@H](NC(=O)[C@@H](N1)Cc1ccccc1)C(=O)O)(C)C
InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
InChI Key MCMMCRYPQBNCPH-WMIMKTLMSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,3,14,14-tetramethyl-6,9,12-trioxo-7-(phenylmethyl)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Synonyms Click here for help
2,5-pen-enkephalin | D-penicillamine (2,5)-enkephalin | DPLPE
Database Links Click here for help
BindingDB Ligand 21008
CAS Registry No. 88373-73-3 (source: Scifinder)
ChEMBL Ligand CHEMBL31421
GtoPdb PubChem SID 135652122
PubChem CID 104787
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