(2R)-3-[[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxo-2-(pyren-1-ylamino)propyl]disulfanyl]-2-(pyren-1-ylamino)propanoic acid
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![(2R)-3-[[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxo-2-(pyren-1-ylamino)propyl]disulfanyl]-2-(pyren-1-ylamino)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6e9da15c7afd42a896587416bca64dbd.png "(2R)-3-[[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxo-2-(pyren-1-ylamino)propyl]disulfanyl]-2-(pyren-1-ylamino)propanoic acid")
(2R)-3-[[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxo-2-(pyren-1-ylamino)propyl]disulfanyl]-2-(pyren-1-ylamino)propanoic acid
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CAS No:
100839-37-0
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Formula:
C42H31N3O9S3
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Chemical Name:
(2R)-3-[[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxo-2-(pyren-1-ylamino)propyl]disulfanyl]-2-(pyren-1-ylamino)propanoic acid
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Synonyms:
dipyrenylcystine N-hydroxysulfosuccinimidyl monoester;DPC-NHSS;Dpc-nhss;100839-37-0;Dipyrenylcystine N-hydroxysulfosuccinimidyl monoester;3-((3-((2,5-Dioxo-3-sulfo-1-pyrrolidinyl)oxy)-3-oxo-2-(1-pyrenylamino)propyl)dithio)-N-1-pyrenyl-L-alanine;L-Alanine, 3-((3-((2,5-dioxo-3-sulfo-1-pyrrolidinyl)oxy)-3-oxo-2-(1-pyrenylamino)propyl)dithio)-N-1-pyrenyl-
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CAS No:
(2R)-3-[[3-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-3-oxo-2-(pyren-1-ylamino)propyl]disulfanyl]-2-(pyren-1-ylamino)propanoic acid Basic Attributes
817.9 g/mol
817.12224310 g/mol
Computed Properties
Molecular Weight:817.9
XLogP3:8.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:14
Exact Mass:817.12224310
Monoisotopic Mass:817.12224310
Topological Polar Surface Area:238
Heavy Atom Count:57
Complexity:1660
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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