COMPUTED DESCRIPTORS
| Molecular Weight | 946.1 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 26 |
| Exact Mass | 945.49600399 g/mol |
| Monoisotopic Mass | 945.49600399 g/mol |
| Topological Polar Surface Area | 336 Ų |
| Heavy Atom Count | 68 |
| Formal Charge | 0 |
| Complexity | 1860 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-amino-N-[1-[4-[(E)-3-[[(2S)-1-[[(4S)-4-amino-5-[(2S)-2-[(2S)-2-amino-4-methylpentanoyl]-2-formyl-3-(2-hydroxy-3-methylpentanoyl)-3H-pyrrol-1-yl]-5-oxopentyl]amino]-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxoprop-1-enyl]-1,3-oxazol-2-yl]ethyl]-5-methyl-2-oxohexanamide is a natural product found in Discodermia with data available.