(2S)-2,6-diamino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]hexanamide
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![(2S)-2,6-diamino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]hexanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/89aaa6adccf141ab815d0f4c9c88f443.png "(2S)-2,6-diamino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]hexanamide")
(2S)-2,6-diamino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]hexanamide
structure -
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CAS No:
134419-07-1
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Formula:
C29H51I2N7O4
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Chemical Name:
(2S)-2,6-diamino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]hexanamide
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Synonyms:
Diiodo-philanthotoxin-343-lysine; I-Phtx-343-lys;
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CAS No:
(2S)-2,6-diamino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]hexanamide Basic Attributes
811.56900
811.20951
DTXSID40158690
Computed Properties
Molecular Weight:811.6
XLogP3:1.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:24
Exact Mass:811.20951
Monoisotopic Mass:811.20951
Topological Polar Surface Area:184
Heavy Atom Count:42
Complexity:741
Isotope Atom Count:2
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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