COMPUTED DESCRIPTORS
| Molecular Weight | 687.7 g/mol |
|---|---|
| XLogP3 | -4.7 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 12 |
| Exact Mass | 687.31876790 g/mol |
| Monoisotopic Mass | 687.31876790 g/mol |
| Topological Polar Surface Area | 296 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide is a natural product found in Aspergillus niger and Aspergillus fumigatus with data available.