(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
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![(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ad76051d37b74e9a8aec694995b9da93.png "(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate")
(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
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CAS No:
956504-54-4
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Formula:
C24H23N3O4S
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Chemical Name:
(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
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Synonyms:
MLS000394593;SMR000262015;(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester;(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate;CHEMBL1544859;BDBM57679;cid_2448618;CHEBI:116442;HMS2564B18;ZINC3332506;AKOS034827912;MCULE-5169890987;Q27199327;Z57985819;(2S)-3-methyl-2-(m-toluoylamino)butyric acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester;(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate;{13-oxo-8-thia-1,10-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,9,11-pentaen-11-yl}methyl (2S)-3-methyl-2-[(3-methylphenyl)formamido]butanoate;956504-54-4
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CAS No:
Description
(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester is a secondary carboxamide.
(4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Basic Attributes
449.5 g/mol
449.14092740 g/mol
Computed Properties
Molecular Weight:449.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:449.14092740
Monoisotopic Mass:449.14092740
Topological Polar Surface Area:113
Heavy Atom Count:32
Complexity:824
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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