COMPUTED DESCRIPTORS
| Molecular Weight | 852.9 g/mol |
|---|---|
| XLogP3 | -2.8 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 15 |
| Exact Mass | 852.31124017 g/mol |
| Monoisotopic Mass | 852.31124017 g/mol |
| Topological Polar Surface Area | 319 Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1680 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-[[(2S)-1-[[2-amino-3-[(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]butanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid is a natural product found in Streptomyces filamentosus and Streptomyces flavidovirens with data available.