20-[[3-[(Aminocarbonyl)oxy]-2-methyl-1-oxobutyl]amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-eicosatrienoic acid
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![20-[[3-[(Aminocarbonyl)oxy]-2-methyl-1-oxobutyl]amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-eicosatrienoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/adc0d6ed8ec4440b90bb1919f2455e3c.png "20-[[3-[(Aminocarbonyl)oxy]-2-methyl-1-oxobutyl]amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-eicosatrienoic acid")
20-[[3-[(Aminocarbonyl)oxy]-2-methyl-1-oxobutyl]amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-eicosatrienoic acid
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CAS No:
174513-95-2
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Formula:
C30H48N2O7
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Chemical Name:
20-[[3-[(Aminocarbonyl)oxy]-2-methyl-1-oxobutyl]amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-eicosatrienoic acid
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Synonyms:
2,10,12-Eicosatrienoic acid,20-[[3-[(aminocarbonyl)oxy]-2-methyl-1-oxobutyl]amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-;20-[[3-[(Aminocarbonyl)oxy]-2-methyl-1-oxobutyl]amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-eicosatrienoic acid;Kalimantacin A
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CAS No:
Description
Kalimantacin A is a fatty acid derivative isolated from the fermentation broth of Alcaligenes sp. YL-02632S. It is an antibiotic with antibacterial activity. It has a role as an antimicrobial agent, an antibacterial agent and a bacterial metabolite. It is a carbamate ester, a fatty acid derivative, a monocarboxylic acid and a monocarboxylic acid amide.
20-[[3-[(Aminocarbonyl)oxy]-2-methyl-1-oxobutyl]amino]-19-hydroxy-3,5,15-trimethyl-7-methylene-17-oxo-2,10,12-eicosatrienoic acid Basic Attributes
548.7 g/mol
548.71
Computed Properties
Molecular Weight:548.7
XLogP3:4.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:21
Exact Mass:548.34615187
Monoisotopic Mass:548.34615187
Topological Polar Surface Area:156
Heavy Atom Count:39
Complexity:907
Undefined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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