[Glu4]-Oxytocin

Chemical Information
| CAS Number | 4314-67-4 |
| PubChem CID | 188978 |
| IUPAC Name | 3-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-4-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-10-yl]propanoic acid |
| Molecular Formula | C43H65N11O13S2 |
| Molecular Weight | 1008.2 |
| XLogP | -4.2 |
| Topological Polar Surface Area | 444 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 17 |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1870 |
| Property | Value |
|---|---|
| Molecular Weight | 1008.2 |
| XLogP3 | -4.2 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 17 |
| Exact Mass | 1007.42047352 |
| Monoisotopic Mass | 1007.42047352 |
| Topological Polar Surface Area | 444 Ų |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1870 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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