Oxytocin,1'-(1'-thio-4'-methylcyclohexane)acetic acid
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Oxytocin,1'-(1'-thio-4'-methylcyclohexane)acetic acid
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CAS No:
113789-43-8
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Formula:
C49H75N11O12S2
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Chemical Name:
Oxytocin,1'-(1'-thio-4'-methylcyclohexane)acetic acid
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Synonyms:
Oxytocin,1-(1-mercapto-4-methylcyclohexaneacetic acid); Oxytocin,1'-(1'-thio-4'-methylcyclohexane)acetic acid; (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(10S,16S,19S,22R)-19-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-10-[(4-hydroxyphenyl)methyl]-3-methyl-8,11,14,17,20-pentaoxo-24,25-dithia-9,12,15,18,21-pentazaspiro[5.19]pentacosane-22-carbonyl]pyrrolidine-2; Mecaot; 1'-(1'-Thio-4'-methylcyclohexane)acetic acid oxytocin;
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CAS No:
Computed Properties
Molecular Weight:1074.3
XLogP3:0.1
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:17
Exact Mass:1073.50380922
Monoisotopic Mass:1073.50380922
Topological Polar Surface Area:424
Heavy Atom Count:74
Complexity:2030
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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