Deoxybrevianamide e

• CAS: 34610-68-9
• Catalog Number: ACM34610689
• Category: Other Products
• Molecular Weight: 351.4
• Molecular Formula: C₂₁H₂₅N₃O₂
• Description: Deoxybrevianamide E, an indole alkaloid, is a biosynthetic precursor for advanced metabolites isolated from the marine-derived Aspergillus sp.
• Synonyms: L-Prolyl-2-(1,1-diMethylallyl)-L-tryptophan anhydride
• IUPAC Name: (3S,8aS)-3-[[2-(2-Methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
• Canonical SMILES: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)CC3C(=O)N4CCCC4C(=O)N3
• InChI: InChI=1S/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1
• InChI Key: KUGNSEAHJVSMAJ-IRXDYDNUSA-N
• Appearance: Oily solid
• Complexity: 602
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 351.19467705
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 26
• Isomeric SMILES: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3
• Monoisotopic Mass: 351.19467705
• Physical State: Powder
• Storage Conditions: Powder: -20°C for 3 years In solvent: -80°C for 2 years
• Topological Polar Surface Area: 65.2 Ų