oxytocin, 7-(azetidine-2-carboxylic acid)-
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oxytocin, 7-(azetidine-2-carboxylic acid)-
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CAS No:
72302-74-0
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Formula:
C42H64N12O12S2
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Chemical Name:
oxytocin, 7-(azetidine-2-carboxylic acid)-
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Synonyms:
7-(azetidine-2-carboxylic acid)oxytocin;oxytocin, 7-(azetidine-2-carboxylic acid)-;Oxytocin, 7-(azetidine-2-carboxylic acid)-;7-(Azetidine-2-carboxylic acid)oxytocin;Oxytocin, 7-L-2-azetidinecarboxylic acid-;(2S)-1-[(4R,7S,10S,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-me;72302-74-0
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CAS No:
Computed Properties
Molecular Weight:993.2
XLogP3:-2.9
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:17
Exact Mass:992.42080787
Monoisotopic Mass:992.42080787
Topological Polar Surface Area:450
Heavy Atom Count:68
Complexity:1850
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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