oxytocin, deamino-1-carba-
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oxytocin, deamino-1-carba-
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CAS No:
20576-70-9
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Formula:
C44H67N11O12S
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Chemical Name:
oxytocin, deamino-1-carba-
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Synonyms:
deamino-1-carbaoxytocin;oxytocin, deamino-1-carba-;Deamino-1-carbaoxytocin;Oxytocin, deamino-1-carba-;20576-70-9;SCHEMBL15511596;1-Carbaoxytocin, 1-butanoic acid;N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-butan-2-yl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide
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CAS No:
Computed Properties
Molecular Weight:974.1
XLogP3:-1.4
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:17
Exact Mass:973.46913779
Monoisotopic Mass:973.46913779
Topological Polar Surface Area:399
Heavy Atom Count:68
Complexity:1830
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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