9-((1R,2S,3R,4S)-4-Amino-2,3-dihydroxy-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid (2-{3-[1-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylcarbamoyl)-piperidin-4-yl]-ureido}-ethyl)-amide dihydrochloride
Grundinformationen
- Standard-SMILES
Cl.Cl.N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(C(=O)NC5CCN(c6ccccn6)CC5)CC4)nc32)[C@H](O)[C@@H]1O- InChIKey
UEANMPUTOYRMJH-UCDPIHHQSA-N- Summenformel
- C44H57Cl2N13O5
- Durchschnittliche Molmasse
- 918,9 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 9-((1R,2S,3R,4S)-4-Amino-2,3-dihydroxy-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid (2-{3-[1-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylcarbamoyl)-piperidin-4-yl]-ureido}-ethyl)-amide dihydrochloride
- IUPAC
- 9-[(1R,2S,3R,4S)-4-amino-2,3-dihydroxycyclopentyl]-6-(2,2-diphenylethylamino)-N-[2-[[1-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]piperidin-4-yl]carbamoylamino]ethyl]purine-2-carboxamide;dihydrochloride
Namen und Synonyme
SCHEMBL242640UEANMPUTOYRMJH-UCDPIHHQSA-N9-((1R,2S,3R,4S)-4-Amino-2,3-dihydroxy-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid (2-{3-[1-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylcarbamoyl)-piperidin-4-yl]-ureido}-ethyl)-amide dihydro chloride9-((1R,2S,3R,4S)-4-Amino-2,3-dihydroxy-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid (2-{3-[1-(3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-ylcarbamoyl)-piperidin-4-yl]-ureido}-ethyl)-amide dihydrochloride
Datenbank-Bezeichner
- PubChem CID
- 86647557
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 241 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 64
- Formalladung
- 0
- Komplexität
- 1.420
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…