5-[[4-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxobutan-2-yl]amino]-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
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![5-[[4-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxobutan-2-yl]amino]-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d97c323a62a04e75afc1cea034dee15e.png "5-[[4-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxobutan-2-yl]amino]-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid")
5-[[4-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxobutan-2-yl]amino]-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
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CAS No:
127708-86-5
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Formula:
C20H32FN3O10
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Chemical Name:
5-[[4-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxobutan-2-yl]amino]-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
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Synonyms:
t-Butyloxycarbonyl-3-fluoroglutamyl-glutamyl-valine; Boc-3F-glu-glu-val;
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CAS No:
5-[[4-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxobutan-2-yl]amino]-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Basic Attributes
493.48100
493.20717239 g/mol
Computed Properties
Molecular Weight:493.5
XLogP3:0.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:15
Exact Mass:493.20717239
Monoisotopic Mass:493.20717239
Topological Polar Surface Area:208
Heavy Atom Count:34
Complexity:781
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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