4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide
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![4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5810a168a5f141b6b2b2a5b54e0cfe33.png "4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide")
4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide
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CAS No:
105688-01-5
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Formula:
C22H35N5O6
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Chemical Name:
4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide
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Synonyms:
xenocoumacin 1;Xenocoumacin 1;105688-01-5;CHEMBL492201;4-Amino-7-((aminoiminomethyl)amino)-4,5,6,7-tetradeoxy-N-(1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)heptonamide;4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide;Heptonamide, 4-amino-7-((aminoiminomethyl)amino)-4,5,6,7-tetradeoxy-N-(1-(3,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl)-
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CAS No:
4-amino-7-(diaminomethylideneamino)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]heptanamide Basic Attributes
465.5 g/mol
465.25873385 g/mol
Computed Properties
Molecular Weight:465.5
XLogP3:0.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:465.25873385
Monoisotopic Mass:465.25873385
Topological Polar Surface Area:207
Heavy Atom Count:33
Complexity:686
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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