Catalog Number
ACM34610689
Product Name
Deoxybrevianamide e
Category
Heterocyclic Organic Compound
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
Molecular Formula
C21H25N3O2
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
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
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
Storage Conditions
Powder: -20°C for 3 years
In solvent: -80°C for 2 years
Topological Polar Surface Area
65.2 Ų
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