402955-38-8
Product Name:
(4R,5S,6S)-3-[[(3S,5S)-5-[[[3-[[(1R,2S)-2-Carboxy-2-[(2S,3R)-5-carboxy-4-[[(3S,5S)-5-[[(3-carboxyphenyl)aMino]carbonyl]-3-pyrrolidinyl]thio]-3,4-dihydro-3-Methyl-2H-pyrrol-2-yl]-1-Methylethoxy]carbonyl]phenyl]aMino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid
Formula:
C44H50N6O14S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 951.0 g/mol |
|---|---|
| XLogP3 | -2.5 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 18 |
| Exact Mass | 950.28264264 g/mol |
| Monoisotopic Mass | 950.28264264 g/mol |
| Topological Polar Surface Area | 361 Ų |
| Heavy Atom Count | 66 |
| Formal Charge | 0 |
| Complexity | 2040 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |