(2-O-Methyltyrosine)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-methoxyphenyl)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: (2-O-Methyltyrosine)oxytocin|Oxytocin, 2-(O-methyl-l-tyrosine)-|EINECS 220-297-2|OXYTOCIN, 2-(3-(P-METHOXYPHENYL)-L-ALANINE)-
| Molecular Formula | C44H68N12O12S2 |
|---|---|
| Molecular Weight | 1020.4521 g/mol |
| LogP | -3.3056 |
| Topological Polar Surface Area | 388.53 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Exact Mass | 1020.4521 |
| Monoisotopic Mass | 1020.4521 |
| Heavy Atoms | 70 |
| Complexity | 2064.8484 |
Chemical Identifiers
| CAS Number | 2706-70-9 |
|---|---|
| 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)OC)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 |
Product Overview
(2-O-Methyltyrosine)oxytocin (CAS 2706-70-9), with molecular formula C44H68N12O12S2 and molecular weight 1020.4521 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-methoxyphenyl)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.
(2-O-Methyltyrosine)oxytocin is a custom synthesis product. We offer services from milligram to kilogram scale.
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