Products 95648-97-8
CAS 95648-97-8 is the registry number for Bombolitin I. Offered by: MedChemExpress. Available pack sizes: Get quote.
6-amino-2-[[2-[[2-[[6-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-N-[1-[[1-[[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide (CAS 95648-97-8) is a chemical compound with the molecular formula C85H155N23O19S and a molecular weight of 1835.4 g/mol. IUPAC name: 6-amino-2-[[2-[[2-[[6-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-N-[1-[[1-[[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide. InChIKey: XRHPHXFRCMOODX-UHFFFAOYSA-N.
| Molecular formula | C85H155N23O19S |
|---|---|
| Molecular weight | 1835.4 g/mol |
| IUPAC name | 6-amino-2-[[2-[[2-[[6-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-N-[1-[[1-[[1-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide |
| InChIKey | XRHPHXFRCMOODX-UHFFFAOYSA-N |
| SMILES | CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CCSC)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)C)C(=O)N)N |
Computed by PubChem (NCBI)