3-[(2E)-2-[(2Z)-2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid
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![3-[(2E)-2-[(2Z)-2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d9ed6a5574814af99ecd66da51cec946.png "3-[(2E)-2-[(2Z)-2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid")
3-[(2E)-2-[(2Z)-2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid
structure -
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CAS No:
31043-42-2
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Formula:
C20H23N3O5S
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Chemical Name:
3-[(2E)-2-[(2Z)-2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid
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Synonyms:
3-(2-{2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-thioxo-4-imidazolidinylidene]ethylidene}-1,3-benzoxazol-3(2H)-yl)propanoic acid;HMS1481M22;ZINC29748131;AKOS000546137;ST50238906;AG-690/36538007;BRD-K05178113-001-01-6;3-(2-{2-[3-(2-Hydroxy-ethyl)-5-oxo-1-propyl-2-thioxo-imidazolidin-4-ylidene]-eth;3-(2-{2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-thioxo-1,3-diazolidin-4-ylidene]e thylidene}-3-hydrobenzoxazol-3-yl)propanoic acid;31043-42-2
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CAS No:
3-[(2E)-2-[(2Z)-2-[3-(2-hydroxyethyl)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid Basic Attributes
417.5 g/mol
417.13584202 g/mol
Computed Properties
Molecular Weight:417.5
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:417.13584202
Monoisotopic Mass:417.13584202
Topological Polar Surface Area:126
Heavy Atom Count:29
Complexity:723
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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