methyl (3S)-4-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-2,3-dihydropyrrol-1-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
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methyl (3S)-4-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-2,3-dihydropyrrol-1-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
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CAS No:
134821-16-2
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Formula:
C25H40N6O9
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Chemical Name:
methyl (3S)-4-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-2,3-dihydropyrrol-1-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
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Synonyms:
BOC-cyclo(Asp-Pro-Asn-Lys)OMe;butyloxycarbonyl-cyclo(aspartyl-prolyl-asparaginyl-lysyl) methyl ester;Boc-cyclo(asp-pro-asn-lys)ome;Butyloxycarbonyl-cyclo(aspartyl-prolyl-asparaginyl-lysyl) methyl ester;134821-16-2
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CAS No:
methyl (3S)-4-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-amino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-2,3-dihydropyrrol-1-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Basic Attributes
568.6 g/mol
568.28567687 g/mol
Computed Properties
Molecular Weight:568.6
XLogP3:-1.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:18
Exact Mass:568.28567687
Monoisotopic Mass:568.28567687
Topological Polar Surface Area:229
Heavy Atom Count:40
Complexity:978
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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