(3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
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![(3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5c8973918c904f6e9a232699ae67a2fd.png "(3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate")
(3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
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CAS No:
956044-36-3
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Formula:
C27H31NO6S
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Chemical Name:
(3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
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Synonyms:
ZINC2147896;AKOS030496674;(S)-3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoate;956044-36-3
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CAS No:
(3-benzyl-4-methyl-2-oxochromen-7-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Basic Attributes
497.6 g/mol
497.18720888 g/mol
Computed Properties
Molecular Weight:497.6
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:497.18720888
Monoisotopic Mass:497.18720888
Topological Polar Surface Area:116
Heavy Atom Count:35
Complexity:798
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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