oxytocin, 1-deaminopenicillamyl-phenylalanyl(2)-threonine(4)-
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oxytocin, 1-deaminopenicillamyl-phenylalanyl(2)-threonine(4)-
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CAS No:
72930-66-6
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Formula:
C44H68N10O11S2
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Chemical Name:
oxytocin, 1-deaminopenicillamyl-phenylalanyl(2)-threonine(4)-
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Synonyms:
1-deaminopenicillamine-2-Phe-4-Thr-oxytocin;OXAPPT;oxytocin, 1-deaminopenicillamyl-Phe(2)-Thr(4)-;oxytocin, 1-deaminopenicillamyl-phenylalanyl(2)-threonine(4)-;Oxappt;1-Deaminopenicillamine-2-phe-4-thr-oxytocin;Oxytocin, 1-deaminopenicillamyl-phe(2)-thr(4)-;72930-66-6;SCHEMBL15511547;Oxytocin, 1-deaminopenicillamyl-phenylalanyl(2)-threonine(4)-;Oxytocin, 1-(3-mercapto-3-methylbutanoic acid)-2-L-phenylalanine-4-L-threonine-;(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(4R,7S,13S,16S)-7-(2-amino-2-oxoethyl)-16-benzyl-13-[(2S)-butan-2-yl]-10-[(1R)-1-hydroxyethyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carb
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CAS No:
oxytocin, 1-deaminopenicillamyl-phenylalanyl(2)-threonine(4)- Basic Attributes
977.2 g/mol
976.45104537 g/mol
Computed Properties
Molecular Weight:977.2
XLogP3:0.3
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:15
Exact Mass:976.45104537
Monoisotopic Mass:976.45104537
Topological Polar Surface Area:381
Heavy Atom Count:67
Complexity:1800
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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