Antide (acetate)

Chemical Information
| CAS Number | 625092-10-6 |
| PubChem CID | 145707467 |
| IUPAC Name | N-[(5R)-5-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-(pyridine-3-carbonylamino)hexanoyl]amino]-6-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-6-(propan-2-ylamino)hexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]pyridine-3-carboxamide;acetic acid |
| Molecular Formula | C84H112ClN17O16 |
| Molecular Weight | 1651.3 |
| Topological Polar Surface Area | 492 |
| Hydrogen Bond Donor Count | 15 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 46 |
| Heavy Atom Count | 118 |
| Formal Charge | 0 |
| Complexity | 3140 |
| Property | Value |
|---|---|
| Molecular Weight | 1651.3 |
| Hydrogen Bond Donor Count | 15 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 46 |
| Exact Mass | 1649.8161482 |
| Monoisotopic Mass | 1649.8161482 |
| Topological Polar Surface Area | 492 Ų |
| Heavy Atom Count | 118 |
| Formal Charge | 0 |
| Complexity | 3140 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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