[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
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![[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/89396db41afb4ac481ae2ab984203d25.png "[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate")
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
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CAS No:
956181-44-5
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Formula:
C18H19N3O5S2
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Chemical Name:
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate
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Synonyms:
ZINC3362315;AKOS034827545;MCULE-7845613633;SR-01000057962;SR-01000057962-1;Z57025756;[(3-cyanothiophen-2-yl)carbamoyl]methyl (2S)-2-benzenesulfonamido-3-methylbutanoate;956181-44-5
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CAS No:
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Basic Attributes
421.5 g/mol
421.07661306 g/mol
Computed Properties
Molecular Weight:421.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:421.07661306
Monoisotopic Mass:421.07661306
Topological Polar Surface Area:162
Heavy Atom Count:28
Complexity:705
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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