Human enteropeptidase-IN-3

Chemical Information
| CAS Number | 1958037-36-9 |
| PubChem CID | 132052345 |
| IUPAC Name | (2S)-2-[[10-(diaminomethylideneamino)-13-oxo-7,8-dihydro-6H-benzo[e][1,8]benzodioxecine-4-carbonyl]amino]butanedioic acid |
| Molecular Formula | C22H22N4O8 |
| Molecular Weight | 470.4 |
| XLogP | 0.6 |
| Topological Polar Surface Area | 204 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 815 |
| Property | Value |
|---|---|
| Molecular Weight | 470.4 |
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 470.14376367 |
| Monoisotopic Mass | 470.14376367 |
| Topological Polar Surface Area | 204 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 815 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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