(2E,4E,6E)-7-[(1R,5R,6S)-3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]hepta-2,4,6-trienoic acid
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![(2E,4E,6E)-7-[(1R,5R,6S)-3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]hepta-2,4,6-trienoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0225e791d77542e09e19bac34b177212.png "(2E,4E,6E)-7-[(1R,5R,6S)-3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]hepta-2,4,6-trienoic acid")
(2E,4E,6E)-7-[(1R,5R,6S)-3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]hepta-2,4,6-trienoic acid
structure -
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CAS No:
150829-93-9
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Formula:
C24H27NO6
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Chemical Name:
(2E,4E,6E)-7-[(1R,5R,6S)-3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]hepta-2,4,6-trienoic acid
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Synonyms:
Nisamycin;
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CAS No:
(2E,4E,6E)-7-[(1R,5R,6S)-3-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]hepta-2,4,6-trienoic acid Basic Attributes
425.47400
425.18383758
Computed Properties
Molecular Weight:425.5
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:425.18383758
Monoisotopic Mass:425.18383758
Topological Polar Surface Area:116
Heavy Atom Count:31
Complexity:888
Defined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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