(5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide, 98%

cas: 1071992-99-8 — see every product listed under this CAS number, including other names

(5S,8S,10aR)-N-Benzhydryl-5-((S)-2-(methylamino)propanamido)-3-(3-methylbutanoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide, 98% (CAS 1071992-99-8) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 250mg. Offered by: BLDpharm.

• 2D
• 3D

(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide (CAS 1071992-99-8) is a chemical compound with the molecular formula C32H43N5O4 and a molecular weight of 561.7 g/mol. IUPAC name: (5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide. InChIKey: LSXUTRRVVSPWDZ-MKKUMYSQSA-N.

Identity

Molecular formula	C32H43N5O4
Molecular weight	561.7 g/mol
IUPAC name	(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
InChIKey	LSXUTRRVVSPWDZ-MKKUMYSQSA-N
SMILES	C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(C)C)NC

Computed by PubChem (NCBI)

Synonyms: Xevinapant, Debio 1143, Debio-1143, Iap inhibitor AT-406, SMAC Mimetic Debio 1143, IAPs Inhibitor Debio 1143, IAPs Antagonist Debio 1143, Second Mitochondrial-derived Activator of Caspases Mimetic Debio 1143, Debio1143, Xevinapant [INN]

Isomers (same molecular formula)

(5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-N-[(2-phenylphenyl)methyl]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide C₃₂H₄₃N₅O₄