Wikidata

(Q27457153)

English

N-{1-benzyl-2,2-difluoro-3,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide

chemical compound

In more languages

Statements

mass
830.429±0 dalton
1 reference
stated in
PubChem
PubChem CID
445075
language of work or name
English
title
A85 (English)
retrieved
19 October 2016
chemical formula
C₄₄H₅₆F₂N₈O₆
1 reference
stated in
PubChem
PubChem CID
445075
language of work or name
English
title
A85 (English)
retrieved
19 October 2016
canonical SMILES
CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)N(C)CC3=CC=CC=N3)(F)F)(O)O)NC(=O)N(C)CC4=CC=CC=N4
1 reference
stated in
PubChem
PubChem CID
445075
language of work or name
English
title
A85 (English)
retrieved
19 October 2016
isomeric SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(C([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)N(C)CC3=CC=CC=N3)(F)F)(O)O)NC(=O)N(C)CC4=CC=CC=N4
1 reference
stated in
PubChem
PubChem CID
445075
language of work or name
English
title
A85 (English)
retrieved
19 October 2016

Identifiers

ChemSpider ID
392821
1 reference
stated in
ChemSpider
ChemSpider ID
392821
language of work or name
English
title
(2S,2'S)-N,N'-[(2S,5S)-3,3-Difluoro-4,4-dihydroxy-1,6-diphenyl-2,5-hexanediyl]bis(3-methyl-2-{[methyl(2-pyridinylmethyl)carbamoyl]amino}butanamide) (English)
retrieved
19 October 2016
PDB ligand ID
A85
0 references
 
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