seglitide   Click here for help

GtoPdb Ligand ID: 2051

Synonyms: MK 678 | MK-678 | MK678
Comment: A cyclic peptide
Click here for help
2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCCCCC1NC(=O)C(NC(=O)C(Cc2ccc(cc2)O)NC(=O)C(N(C(=O)C(NC(=O)C(NC1=O)C(C)C)Cc1ccccc1)C)C)Cc1c[nH]c2c1cccc2
Isomeric SMILES NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc1ccccc1)C)C)Cc1c[nH]c2c1cccc2
InChI InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)/t27-,34-,35-,36+,37-,38-/m0/s1
InChI Key NPJIOCBFOAHEDO-AVWFULIKSA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-3-(phenylmethyl)-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
International Nonproprietary Names Click here for help
INN number INN
6146 seglitide
Synonyms Click here for help
MK 678 | MK-678 | MK678
Database Links Click here for help
BindingDB Ligand 50051568
CAS Registry No. 81377-02-8 (source: Scifinder)
ChEMBL Ligand CHEMBL311695
GtoPdb PubChem SID 135652292
PubChem CID 5311430
Search Google for chemical match using the InChIKey NPJIOCBFOAHEDO-AVWFULIKSA-N
Search Google for chemicals with the same backbone NPJIOCBFOAHEDO
Search PubMed clinical trials seglitide
Search PubMed titles seglitide
Search PubMed titles/abstracts seglitide
Search UniChem for chemical match using the InChIKey NPJIOCBFOAHEDO-AVWFULIKSA-N
Search UniChem for chemicals with the same backbone NPJIOCBFOAHEDO

Product suppliers

View disclaimer

Tocris
Seglitide
Cat. No. 1836