MA-2029   Click here for help

GtoPdb Ligand ID: 4036

Synonyms: MA2029
Compound class: Synthetic organic
Comment: Reference [1] specifies that the hydrochloride form of this compound was used in the experiments from which our data is derived; however, please note that this compound is also available for purchase experimentally as the 'parent' compound without HCl.
Click here for help
2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCNC(=O)C(NC(=O)C(N(C(=O)C(Cc1ccc(cc1)F)NC)C)C(C)C)Cc1ccc(c(c1)C(C)(C)C)O.Cl
Isomeric SMILES CCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](Cc1ccc(cc1)F)NC)C)C(C)C)Cc1ccc(c(c1)C(C)(C)C)O.Cl
InChI InChI=1S/C31H45FN4O4.ClH/c1-9-34-28(38)24(18-21-12-15-26(37)23(16-21)31(4,5)6)35-29(39)27(19(2)3)36(8)30(40)25(33-7)17-20-10-13-22(32)14-11-20;/h10-16,19,24-25,27,33,37H,9,17-18H2,1-8H3,(H,34,38)(H,35,39);1H/t24-,25-,27-;/m0./s1
InChI Key AMSDRHOIAWZBTJ-PBQYMGKRSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide;hydrochloride
Synonyms Click here for help
MA2029
Database Links Click here for help
GtoPdb PubChem SID 178100861
PubChem CID 73755070
Search Google for chemical match using the InChIKey AMSDRHOIAWZBTJ-PBQYMGKRSA-N
Search Google for chemicals with the same backbone AMSDRHOIAWZBTJ
Search UniChem for chemical match using the InChIKey AMSDRHOIAWZBTJ-PBQYMGKRSA-N
Search UniChem for chemicals with the same backbone AMSDRHOIAWZBTJ