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Discovery of unguisin J, a new cyclic peptide from Aspergillus heteromorphus CBS 117.55, and phylogeny-based bioinformatic analysis of UngA NRPS domains

Sharmila Neupane, Marcelo Rodrigues de Amorim and Elizabeth Skellam

Beilstein J. Org. Chem. 2024, 20, 321–330. https://doi.org/10.3762/bjoc.20.32

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Chemical structure C<sub>3</sub>H<sub>7</sub>NO<sub>2</sub>

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Extracted from

Scheme 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₃H₇NO₂
Molecular Weight	89.09 g/mol
Exact Mass	89.0477 Da
InChI	InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKey	QNAYBMKLOCPYGJ-UWTATZPHSA-N
SMILES	C[C@H](C(=O)O)N
Number of Atoms	13
Number of H-Bond Acceptors	3
Number of H-Bond Donors	2
Atoms in the Largest π-System	2
XLogP	-2.8

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