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Home > Encyclopedia > (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

(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

(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 structure

(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 

structure
  • CAS No:

    134790-35-5

  • Formula:

    C26H42N6O9

  • 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

  • Synonyms:

    Butyloxycarbonyl-cyclo(glutamyl-prolyl-asparaginyl-lysyl) methyl ester; Boc-cyclo(glu-pro-asn-lys)ome;

(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

Characteristics

249.61000

2.91760

1.36g/cm3

1.593

Drug Information

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

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

Guide of (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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