(4S)-5-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-imino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
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(4S)-5-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-imino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
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CAS No:
134790-35-5
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Formula:
C26H42N6O9
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Chemical Name:
(4S)-5-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-imino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
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Synonyms:
Butyloxycarbonyl-cyclo(glutamyl-prolyl-asparaginyl-lysyl) methyl ester; Boc-cyclo(glu-pro-asn-lys)ome;
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CAS No:
(4S)-5-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-6-imino-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Basic Attributes
582.64600
582.30132694
Computed Properties
Molecular Weight:582.6
XLogP3:-1.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:18
Exact Mass:582.30132694
Monoisotopic Mass:582.30132694
Topological Polar Surface Area:238
Heavy Atom Count:41
Complexity:996
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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