edeine D
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edeine D
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CAS No:
40627-96-1
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Formula:
C33H58N10O9
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Chemical Name:
edeine D
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Synonyms:
1-(D-3-phenyl-beta-alanine)edeine A1;edeine D;CTK1D6945;DTXSID30193636;(2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxypropanoyl]-[(2S)-3-amino-2-phenylpropanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]acetyl]amino]-7-hydroxy-9-oxononanoic acid;(2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxy-propanoyl]-[(2S)-3-amino-2-phenyl-propanoyl]amino]propanoyl]amino]-8-[[2-[3-(4-aminobutylamino)propylamino]acetyl]carbamoyl]-7-hydroxy-octanoic acid;L-Alaninamide, (S)-3-phenyl-beta-alanyl-(S)-2-hydroxy-beta-alanyl-3-amino-N-(5-amino-8-((2-((3-((4-aminobutyl)amino)propyl)amino)-2-oxoethyl)amino)-1-carboxy-6-hydroxy-8-oxooctyl)-, (1R-(1R*,5S*,6R*))-
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CAS No:
Computed Properties
Molecular Weight:738.9
XLogP3:-7.6
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:27
Exact Mass:738.43882347
Monoisotopic Mass:738.43882347
Topological Polar Surface Area:345
Heavy Atom Count:52
Complexity:1110
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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