3,7,12-Trihydroxy-N-[2,5,8,11-tetrahydroxy-14-(1H-imidazol-5-yl)-3,6,9,12-tetraazatetradeca-2,5,8,11-tetraen-1-yl]cholan-24-imidic acid
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![3,7,12-Trihydroxy-N-[2,5,8,11-tetrahydroxy-14-(1H-imidazol-5-yl)-3,6,9,12-tetraazatetradeca-2,5,8,11-tetraen-1-yl]cholan-24-imidic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2884bf3551f642979f3312c292219576.png "3,7,12-Trihydroxy-N-[2,5,8,11-tetrahydroxy-14-(1H-imidazol-5-yl)-3,6,9,12-tetraazatetradeca-2,5,8,11-tetraen-1-yl]cholan-24-imidic acid")
3,7,12-Trihydroxy-N-[2,5,8,11-tetrahydroxy-14-(1H-imidazol-5-yl)-3,6,9,12-tetraazatetradeca-2,5,8,11-tetraen-1-yl]cholan-24-imidic acid
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CAS No:
98584-70-4
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Formula:
C37H59N7O8
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Chemical Name:
3,7,12-Trihydroxy-N-[2,5,8,11-tetrahydroxy-14-(1H-imidazol-5-yl)-3,6,9,12-tetraazatetradeca-2,5,8,11-tetraen-1-yl]cholan-24-imidic acid
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Synonyms:
C-(Gly)4-H;cholyltetraglycylhistamine;98584-70-4;Cholyltetraglycylhistamine;C-(Gly)4-H;DTXSID70913178;(4R)-N-[2-[[2-[[2-[[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopent;3,7,12-Trihydroxy-N-[2,5,8,11-tetrahydroxy-14-(1H-imidazol-5-yl)-3,6,9,12-tetraazatetradeca-2,5,8,11-tetraen-1-yl]cholan-24-imidic acid;Glycinamide, N-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)glycylglycylglycyl-N-(2-(1H-imidazol-4-yl)ethyl)-
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CAS No:
3,7,12-Trihydroxy-N-[2,5,8,11-tetrahydroxy-14-(1H-imidazol-5-yl)-3,6,9,12-tetraazatetradeca-2,5,8,11-tetraen-1-yl]cholan-24-imidic acid Basic Attributes
729.9 g/mol
729.44251187 g/mol
Computed Properties
Molecular Weight:729.9
XLogP3:0.8
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:15
Exact Mass:729.44251187
Monoisotopic Mass:729.44251187
Topological Polar Surface Area:235
Heavy Atom Count:52
Complexity:1300
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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