benzyl (4S)-5-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-1-phenacyloxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-4-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxopentanoate
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benzyl (4S)-5-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-1-phenacyloxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-4-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxopentanoate
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CAS No:
38236-43-0
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Formula:
C41H47N3O11
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Chemical Name:
benzyl (4S)-5-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-1-phenacyloxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-4-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxopentanoate
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Synonyms:
38236-43-0;DTXSID90959179;Phenacyl N-(1-ethoxycarbonyl-2-propenyl)-gamma-benzylglutamyl-gamma-benzylglutamylalaninate;L-Alanine, N-(N-(N-(1-(ethoxycarbonyl)-2-propenyl)-L-alpha-glutamyl)-L-alpha-glutamyl)-, 1-(2-oxo-2-phenylethyl) 5,5'-bis(phenylmethyl) ester;5-(Benzyloxy)-2-({5-(benzyloxy)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-1-hydroxy-5-oxopentylidene}amino)-5-oxo-N-[1-oxo-1-(2-oxo-2-phenylethoxy)propan-2-yl]pentanimidic acid
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CAS No:
benzyl (4S)-5-[[(2S)-1,5-dioxo-1-[[(2S)-1-oxo-1-phenacyloxypropan-2-yl]amino]-5-phenylmethoxypentan-2-yl]amino]-4-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxopentanoate Basic Attributes
757.8 g/mol
757.32105932 g/mol
Computed Properties
Molecular Weight:757.8
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:27
Exact Mass:757.32105932
Monoisotopic Mass:757.32105932
Topological Polar Surface Area:193
Heavy Atom Count:55
Complexity:1270
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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