Products 2166376-64-1

CAS 2166376-64-1 appears in our catalog under these names: Glucocorticoid receptor agonist–2 Ala–Ala–Mal, Glucocorticoid receptor agonist-2 Ala-Ala-Mal, 97.27%, Glucocorticoid receptor agonist-2 Ala-Ala-Mal, ≥98%. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 10mg, 5mg, 1 mg, 10 mg, 5 mg, 1mg.

Structural formula: {0} (CAS {1})

(2S)-N-[(2S)-1-[3-[4-[(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]phenoxy]anilino]-1-oxopropan-2-yl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanamide (CAS 2166376-64-1) is a chemical compound with the molecular formula C47H50F2N4O12 and a molecular weight of 900.9 g/mol. IUPAC name: (2S)-N-[(2S)-1-[3-[4-[(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]phenoxy]anilino]-1-oxopropan-2-yl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanamide. InChIKey: KRZIDULFZLGQNC-IVNSWYEUSA-N.

Identity
Molecular formulaC47H50F2N4O12
Molecular weight900.9 g/mol
IUPAC name(2S)-N-[(2S)-1-[3-[4-[(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]phenoxy]anilino]-1-oxopropan-2-yl]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propanamide
InChIKeyKRZIDULFZLGQNC-IVNSWYEUSA-N
SMILESC[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC(=CC=C1)OC2=CC=C(C=C2)[C@@H]3O[C@@H]4C[C@H]5[C@@H]6C[C@@H](C7=CC(=O)C=C[C@@]7([C@]6([C@H](C[C@@]5([C@@]4(O3)C(=O)CO)C)O)F)C)F)NC(=O)CCN8C(=O)C=CC8=O

Computed by PubChem (NCBI)