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Home > Encyclopedia > 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

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

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 structure

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 

structure
  • CAS No:

    134821-16-2

  • Formula:

    C25H40N6O9

  • 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

  • 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

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

Characteristics

229 Ų

Drug Information

BOC-cyclo(Asp-Pro-Asn-Lys)OMe

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

Guide of 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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