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Home > Encyclopedia > Oxytocin,1'-(1'-thio-4'-methylcyclohexane)acetic acid

Oxytocin,1'-(1'-thio-4'-methylcyclohexane)acetic acid

Oxytocin,1'-(1'-thio-4'-methylcyclohexane)acetic acid structure

Oxytocin,1'-(1'-thio-4'-methylcyclohexane)acetic acid 

structure
  • CAS No:

    113789-43-8

  • Formula:

    C49H75N11O12S2

  • Chemical Name:

    Oxytocin,1'-(1'-thio-4'-methylcyclohexane)acetic acid

  • 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;

Oxytocin,1'-(1'-thio-4'-methylcyclohexane)acetic acid Basic Attributes

1074.32000

1073.50380922

Characteristics

451.51000

5.85020

1.35g/cm3

1516.7ºC

871.1ºC

1.622

0mmHg at 25°C

Drug Information

1'-(1'-thio-4'-methylcyclohexane)acetic acid oxytocin

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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