(4S)-4-[(4-chlorophenyl)sulfonylamino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid
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![(4S)-4-[(4-chlorophenyl)sulfonylamino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/aff2695806be438086bf079c5b6260ce.png "(4S)-4-[(4-chlorophenyl)sulfonylamino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid")
(4S)-4-[(4-chlorophenyl)sulfonylamino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid
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CAS No:
138006-80-1
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Formula:
C23H25ClN4O7S
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Chemical Name:
(4S)-4-[(4-chlorophenyl)sulfonylamino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid
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Synonyms:
7-(4-chlorophenylsulfonyl-L-glutamyl)amino-5-methyl-2-isopropylamino-4H-3,1-benzoxazin-4-one;TEI 5624;TEI-5624;138006-80-1;Tei-5624;Tei 5624;SCHEMBL9695472;DTXSID80929967;(4S)-4-[(4-chlorophenyl)sulfonylamino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid;4-[(4-Chlorobenzene-1-sulfonyl)amino]-5-hydroxy-5-({5-methyl-4-oxo-2-[(propan-2-yl)imino]-1,4-dihydro-2H-3,1-benzoxazin-7-yl}imino)pentanoic acid;7-(4-Chlorophenylsulfonyl-L-glutamyl)amino-5-methyl-2-isopropylamino-4H-3,1-benzoxazin-4-one;7-[[N-(4-Chlorophenylsulfonyl)-L-alpha-glutamyl]amino]-2-(isopropylamino)-5-methyl-4H-3,1-benzoxazin-4-one;Pentanoic acid, 4-(((4-chlorophenyl)sulfonyl)amino)-5-((5-methyl-2-((1-methylethyl)amino)-4-oxo-4H-3,1-benzoxazin-7-yl)amino)-5-oxo-, (S)-
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CAS No:
(4S)-4-[(4-chlorophenyl)sulfonylamino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid Basic Attributes
537.0 g/mol
536.1132480 g/mol
Drug Information
7-(4-chlorophenylsulfonyl-L-glutamyl)amino-5-methyl-2-isopropylamino-4H-3,1-benzoxazin-4-one
Computed Properties
Molecular Weight:537.0
XLogP3:2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:536.1132480
Monoisotopic Mass:536.1132480
Topological Polar Surface Area:172
Heavy Atom Count:36
Complexity:960
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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