Oxytocin,1-(3-mercapto-L-valine)-2-D-phenylalanine-4-L-threonine-8-L-ornithine
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Oxytocin,1-(3-mercapto-L-valine)-2-D-phenylalanine-4-L-threonine-8-L-ornithine
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CAS No:
136429-81-7
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Formula:
C43H68N12O11S2
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Chemical Name:
Oxytocin,1-(3-mercapto-L-valine)-2-D-phenylalanine-4-L-threonine-8-L-ornithine
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Synonyms:
Pen(1)-phe(2)-thr(4)-orn(8)-oxytocin; Oxytocin,penicillamine(1)-phenylalanyl(2)-threonyl(4)-ornithine(8); (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,16R,19R)-19-amino-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-pent; Oxytocin,pen(1)-phe(2)-thr(4)-orn(8); PPTOO; Oxytocin,1-(3-mercapto-L-valine)-2-D-phenylalanine-4-L-threonine-8-L-ornithine;Expand
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CAS No:
Oxytocin,1-(3-mercapto-L-valine)-2-D-phenylalanine-4-L-threonine-8-L-ornithine Basic Attributes
993.20400
992.45719338
Computed Properties
Molecular Weight:993.2
XLogP3:-2.4
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:16
Exact Mass:992.45719338
Monoisotopic Mass:992.45719338
Topological Polar Surface Area:433
Heavy Atom Count:68
Complexity:1820
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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