(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-2-[[4-hydroxy-3-(pyridin-2-yldisulfanyl)phenyl]methyl]-3-oxopentanoic acid
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![(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-2-[[4-hydroxy-3-(pyridin-2-yldisulfanyl)phenyl]methyl]-3-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1158df721c1442d7abbb3997e4c9f7e7.png "(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-2-[[4-hydroxy-3-(pyridin-2-yldisulfanyl)phenyl]methyl]-3-oxopentanoic acid")
(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-2-[[4-hydroxy-3-(pyridin-2-yldisulfanyl)phenyl]methyl]-3-oxopentanoic acid
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CAS No:
138191-81-8
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Formula:
C23H29IN6O5S2
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Chemical Name:
(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-2-[[4-hydroxy-3-(pyridin-2-yldisulfanyl)phenyl]methyl]-3-oxopentanoic acid
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Synonyms:
3-(2-pyridyldithio)propionyl-Arg-I-Tyr;3-(2-pyridyldithio)propionylarginylmonoiodotyrosine;3-PTPAIT;3-(2-Pyridyldithio)propionylarginylmonoiodotyrosine;138191-81-8;3-Ptpait;3-(2-Pyridyldithio)propionyl-arg-I-tyr;DTXSID70160529
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CAS No:
(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-2-[[4-hydroxy-3-(pyridin-2-yldisulfanyl)phenyl]methyl]-3-oxopentanoic acid Basic Attributes
660.6 g/mol
660.06856 g/mol
DTXSID70160529
Computed Properties
Molecular Weight:660.6
XLogP3:-0.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:660.06856
Monoisotopic Mass:660.06856
Topological Polar Surface Area:249
Heavy Atom Count:37
Complexity:821
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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