(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide
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![(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c99ccdfdbc544531a9c05afca42cc43e.png "(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide")
(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide
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CAS No:
134419-06-0
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Formula:
C29H51I2N9O4
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Chemical Name:
(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide
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Synonyms:
diiodo-philanthotoxin-343-arginine;I-PhTX-343-Arg;134419-06-0;I-Phtx-343-arg;DTXSID20928611;Diiodo-philanthotoxin-343-arginine;2-Amino-5-carbamimidamido-N-[14,17-dihydroxy-15-({4-hydroxy-3,5-bis[(~125~I)iodo]phenyl}methyl)-4,9,13,16-tetraazaicosa-13,16-dien-1-yl]pentanimidic acid
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CAS No:
(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-(butanoylamino)-3-[4-hydroxy-3,5-bis(125I)(iodanyl)phenyl]propanoyl]amino]propylamino]butylamino]propyl]-5-(diaminomethylideneamino)pentanamide Basic Attributes
839.6 g/mol
839.21566 g/mol
Computed Properties
Molecular Weight:839.6
XLogP3:0.8
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:24
Exact Mass:839.21566
Monoisotopic Mass:839.21566
Topological Polar Surface Area:222
Heavy Atom Count:44
Complexity:840
Isotope Atom Count:2
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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