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Home > Encyclopedia > (4R)-5-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

(4R)-5-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

(4R)-5-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid structure

(4R)-5-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid 

structure
  • CAS No:

    1173688-12-4

  • Formula:

    C29H31NO10

  • Chemical Name:

    (4R)-5-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

  • Synonyms:

    ZINC2115957;AKOS030489373;MCULE-4840479543;(R)-4-((tert-butoxycarbonyl)amino)-5-((3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl)oxy)-5-oxopentanoic acid;1173688-12-4

(4R)-5-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Basic Attributes

553.6 g/mol

553.19479619 g/mol

Characteristics

147 Ų

Computed Properties

Molecular Weight:553.6
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:553.19479619
Monoisotopic Mass:553.19479619
Topological Polar Surface Area:147
Heavy Atom Count:40
Complexity:1000
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (4R)-5-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid

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