(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid
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![(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/64f7d832c6d4469c9136505f87e304e2.png "(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid")
(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid
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CAS No:
138191-82-9
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Formula:
C22H27IN6O7
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Chemical Name:
(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid
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Synonyms:
3-maleimidopropionyl-Arg-I-Tyr;3-maleimidopropionylarginylmonoiodotyrosine;3-MPAIT;3-Maleimidopropionylarginylmonoiodotyrosine;138191-82-9;3-Mpait;3-Maleimidopropionyl-arg-I-tyr;DTXSID80160530;(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid;L-Tyrosine, N-(N2-(3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl)-2-arginyl)-3-(ido-125I)-
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CAS No:
(2R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-iodoamino]-5-(2,5-dioxopyrrol-1-yl)-2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid Basic Attributes
614.4 g/mol
614.09859 g/mol
DTXSID80160530
Computed Properties
Molecular Weight:614.4
XLogP3:-3.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:13
Exact Mass:614.09859
Monoisotopic Mass:614.09859
Topological Polar Surface Area:223
Heavy Atom Count:36
Complexity:912
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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