ethyl 2-[[2-[[(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]acetyl]amino]acetate
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![ethyl 2-[[2-[[(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]acetyl]amino]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f84b8fa2f16c4750919d456e3af6bb68.png "ethyl 2-[[2-[[(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]acetyl]amino]acetate")
ethyl 2-[[2-[[(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]acetyl]amino]acetate
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CAS No:
161876-61-5
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Formula:
C20H24N4O6S2
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Chemical Name:
ethyl 2-[[2-[[(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]acetyl]amino]acetate
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Synonyms:
MAIPGG;N-(S-acetylmercaptoacetyl)-4-isothiocyanate-phenylalanyl-glycyl-glycine ethyl ester;Maipgg;161876-61-5;Glycine, N-(N-(N-((acetylthio)acetyl)-4-isothiocyanato-L-phenylalanyl)glycyl), ethyl ester;DTXSID00167263;ethyl 2-[[2-[[(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]acetyl]amino]acetate;N-[(Acetylthio)acetyl]-4-isothiocyanato-L-Phe-Gly-Gly-OEt;N-(S-Acetylmercaptoacetyl)-4-isothiocyanate-phenylalanyl-glycyl-glycine ethyl ester
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CAS No:
ethyl 2-[[2-[[(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]acetyl]amino]acetate Basic Attributes
480.6 g/mol
480.11372685 g/mol
DTXSID00167263
Computed Properties
Molecular Weight:480.6
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:14
Exact Mass:480.11372685
Monoisotopic Mass:480.11372685
Topological Polar Surface Area:200
Heavy Atom Count:32
Complexity:734
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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