Oxytocin
(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: OXYTOCIN|Pitocin|Endopituitrina|Syntocinon|Ocytocin|Oxytocinum|Oxitocina|Oxytocine|Orasthin|Oxystin|Syntocinone|Partocon|Presoxin|Syntocin|Uteracon|alpha-Hypophamine|Di-sipidin|Synthetic oxytocin|Piton S|Nobitocin S|Ocytocinum|Ossitocina|Oxetakain|Synpitan|Oxoject|Oxtocin|Utedrin|Atonin O|Intertocine S|perlacton|(1-Hemicystine)oxytocin|Vasotocin;|[3H]oxytocin|Oxytocic hormone|Oxytocin acetate|Oxytocin-|Oxetakain [Czech]||A-Hypophamine|Oxytocin RS|Oxytocin CRS|Oxytocin Solution|Nobitocin S.|Ossitocina [DCIT]|Syntocinon (TN)|Oxytocin Injectable|Atonin O;|Oxytocin (TN)|Pitocin (TN)|Recombinant Oxytocin
| Molecular Formula | C43H66N12O12S2 |
|---|---|
| Molecular Weight | 1006.43646 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 450.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Exact Mass | 1006.43646 |
| Monoisotopic Mass | 1006.43646 |
| Heavy Atoms | 69 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 4248-64-0 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
| InChIKey | XNOPRXBHLZRZKH-DSZYJQQASA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxytocin (CAS 4248-64-0), with molecular formula C43H66N12O12S2 and molecular weight 1006.43646 g/mol. IUPAC: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
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