2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide
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![2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b0b75f7a06984aaebb2147a417d5ba76.png "2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide")
2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide
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CAS No:
105688-00-4
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Formula:
C21H30N2O6
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Chemical Name:
2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide
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Synonyms:
xenocoumacin 2;Xenocoumacin 2;105688-00-4;CHEMBL522314;DTXSID60909681;2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide;N-(1-(3,4-Dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)-alpha,beta-dihydroxy-2-pyrrolidinepropanamide;2,3-Dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-3-methylbutyl]-3-(pyrrolidin-2-yl)propanimidic acid;2-Pyrrolidinepropanamide, N-(1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)-alpha,beta-dihydroxy-
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CAS No:
2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide Basic Attributes
406.5 g/mol
406.21038668 g/mol
Computed Properties
Molecular Weight:406.5
XLogP3:2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:406.21038668
Monoisotopic Mass:406.21038668
Topological Polar Surface Area:128
Heavy Atom Count:29
Complexity:586
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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