1-penicillamyl-O-MeTyr(2)-oxytocin, (L)-isomer
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1-penicillamyl-O-MeTyr(2)-oxytocin, (L)-isomer
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CAS No:
89070-65-5
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Formula:
C46H72N12O12S2
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Chemical Name:
1-penicillamyl-O-MeTyr(2)-oxytocin, (L)-isomer
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Synonyms:
1-penicillamyl-2-O-MeTyr-oxytocin;1-penicillamyl-O-MeTyr(2)-oxytocin, (L)-isomer;oxytocin PAMET;oxytocin, 1-penicillamyl-O-methyltyrosine(2)-;oxytocin, 1-penicillamyl-O-MeTyr(2)-;oxytocin, PA-meTyr-;PA-meTyr-oxytocin;Oxytocin, 1-penicillamyl-O-metyr(2)-;SCHEMBL15512206;EINECS 289-465-0;Oxytocin, 1-(3-mercapto-d-valine)-2-(O-methyl-l-tyrosine)-;(2S)-1-[(4R,7S,10S,13S,16S,19S)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-methoxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-o
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CAS No:
1-penicillamyl-O-MeTyr(2)-oxytocin, (L)-isomer Basic Attributes
1049.3 g/mol
1048.48340813 g/mol
289-465-0
Computed Properties
Molecular Weight:1049.3
XLogP3:-1.6
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:18
Exact Mass:1048.48340813
Monoisotopic Mass:1048.48340813
Topological Polar Surface Area:439
Heavy Atom Count:72
Complexity:1970
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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