(Z)-6-[(1R,2R,3R,4S)-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
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![(Z)-6-[(1R,2R,3R,4S)-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b35014abc33f40328b6d6214c1227efb.png "(Z)-6-[(1R,2R,3R,4S)-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid")
(Z)-6-[(1R,2R,3R,4S)-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
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CAS No:
121700-32-1
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Formula:
C21H29NO4S
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Chemical Name:
(Z)-6-[(1R,2R,3R,4S)-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
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Synonyms:
Ono-NT 125; Ono-NT 026; 5-Hexenoic acid,6-(3-((((4-methylphenyl)sulfonyl)amino)methyl)bicyclo(2.2.1)hept-2-yl)-,(1alpha,2alpha(Z),3beta,4alpha);
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CAS No:
(Z)-6-[(1R,2R,3R,4S)-2-[[(4-methylphenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoic acid Basic Attributes
391.52400
391.18172958
Computed Properties
Molecular Weight:391.5
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:391.18172958
Monoisotopic Mass:391.18172958
Topological Polar Surface Area:91.8
Heavy Atom Count:27
Complexity:631
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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