(2R)-2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl)methylsulfanyl]propanoic acid
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![(2R)-2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl)methylsulfanyl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d6bde5c9154647838aa959df12c6bf1a.png "(2R)-2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl)methylsulfanyl]propanoic acid")
(2R)-2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl)methylsulfanyl]propanoic acid
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CAS No:
154163-82-3
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Formula:
C25H27NO8S
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Chemical Name:
(2R)-2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl)methylsulfanyl]propanoic acid
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Synonyms:
7,8,9,11-tetrahydro-5,10-dihydroxy-4,9-dimethoxy-2-(4-acetamido-4-carboxy-2-thiabutyl)-6H-benzo(b)fluoren-6-one;cysfluoretin;Cysfluoretin;154163-82-3;N-acetyl-S-((5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydro-6H-benzo[b]fluoren-2-yl)methyl)-L-cysteine;DTXSID80934935;(2R)-2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl)methylsulfanyl]propanoic acid;L-Cysteine, N-acetyl-S-((7,8,9,11-tetrahydro-5,10-dihydroxy-4,9-dimethoxy-6-oxo-6H-benzo(b)fluoren-2-yl)methyl)-;7,8,9,11-tetrahydro-5,10-dihydroxy-4,9-dimethoxy-2-(4-acetamido-4-carboxy-2-thiabutyl)-6H-benzo(b)fluoren-6-one;S-[(5,10-Dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydro-6H-benzo[b]fluoren-2-yl)methyl]-N-(1-hydroxyethylidene)cysteine
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CAS No:
(2R)-2-acetamido-3-[(5,10-dihydroxy-4,9-dimethoxy-6-oxo-7,8,9,11-tetrahydrobenzo[b]fluoren-2-yl)methylsulfanyl]propanoic acid Basic Attributes
501.5 g/mol
501.14573799 g/mol
Drug Information
7,8,9,11-tetrahydro-5,10-dihydroxy-4,9-dimethoxy-2-(4-acetamido-4-carboxy-2-thiabutyl)-6H-benzo(b)fluoren-6-one
Computed Properties
Molecular Weight:501.5
XLogP3:2.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:501.14573799
Monoisotopic Mass:501.14573799
Topological Polar Surface Area:168
Heavy Atom Count:35
Complexity:810
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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