PL017   Click here for help

GtoPdb Ligand ID: 1671

Synonyms: 3-N-Me-Phe-morphiceptin | PL 017 | PL-017
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES Oc1ccc(cc1)CC(C(=O)N1CCCC1C(=O)N(C(C(=O)N1CCCC1C(=O)N)Cc1ccccc1)C)N
Isomeric SMILES Oc1ccc(cc1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N([C@H](C(=O)N1CCC[C@@H]1C(=O)N)Cc1ccccc1)C)N
InChI InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22-,23+,24-,25-/m0/s1
InChI Key JAKBYSTWCHUQOK-NDBXHCKUSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylpyrrolidine-2-carboxamide
Synonyms Click here for help
3-N-Me-Phe-morphiceptin | PL 017 | PL-017
Database Links Click here for help
BindingDB Ligand 50140906
CAS Registry No. 83397-56-2 (source: Scifinder)
ChEMBL Ligand CHEMBL283287
GtoPdb PubChem SID 135650836
PubChem CID 115335
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