benzyl 5-[[3-benzylsulfanyl-1-oxo-1-[[2-oxo-2-(2,3,4,5,6-pentachlorophenoxy)ethyl]amino]propan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
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benzyl 5-[[3-benzylsulfanyl-1-oxo-1-[[2-oxo-2-(2,3,4,5,6-pentachlorophenoxy)ethyl]amino]propan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
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CAS No:
32296-79-0
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Formula:
C38H34Cl5N3O8S
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Chemical Name:
benzyl 5-[[3-benzylsulfanyl-1-oxo-1-[[2-oxo-2-(2,3,4,5,6-pentachlorophenoxy)ethyl]amino]propan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
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Synonyms:
32296-79-0;NSC120019;DTXSID00297998;NSC-120019;5-Benzyl 13-(pentachlorophenyl) 10-[(benzylsulfanyl)methyl]-3,8,11-trioxo-1-phenyl-2-oxa-4,9,12-triazatridecane-5,13-dicarboxylate (non-preferred name)
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CAS No:
benzyl 5-[[3-benzylsulfanyl-1-oxo-1-[[2-oxo-2-(2,3,4,5,6-pentachlorophenoxy)ethyl]amino]propan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Basic Attributes
870.0 g/mol
869.047975 g/mol
120019
DTXSID00297998
Computed Properties
Molecular Weight:870.0
XLogP3:8.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:21
Exact Mass:869.047975
Monoisotopic Mass:867.050925
Topological Polar Surface Area:174
Heavy Atom Count:55
Complexity:1220
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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