[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
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![[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a60d6f1b04704f059bef9d253f64512d.png "[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate")
[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
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CAS No:
956504-39-5
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Formula:
C21H17F4N3O4S
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Chemical Name:
[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
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Synonyms:
ZINC3378782;AKOS034826593;MCULE-6605705978;Z56943137;[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)carbamoyl]methyl (2S)-2-[(4-fluorophenyl)formamido]-3-methylbutanoate;956504-39-5
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CAS No:
[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate Basic Attributes
483.4 g/mol
483.08758985 g/mol
Computed Properties
Molecular Weight:483.4
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:483.08758985
Monoisotopic Mass:483.08758985
Topological Polar Surface Area:126
Heavy Atom Count:33
Complexity:726
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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