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Home > Encyclopedia > methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate

methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate

methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate structure

methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate 

structure
  • CAS No:

    129229-16-9

  • Formula:

    C26H39N3O6

  • Chemical Name:

    methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate

  • Synonyms:

    Nbdlv-och3; N-Butyloxycarbonyl-phenylalanyl-dehydroleucyl-valine methyl ester; N-Boc-phe-dehydro-leu-val-och3;

methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate Basic Attributes

489.60400

489.28388597

Characteristics

133.30000

4.97730

1.107g/cm3

707.5ºC at 760 mmHg

381.7ºC

1.515

7.27E-20mmHg at 25°C

Drug Information

N-Boc-Phe-dehydro-Leu-Val-OCH3

Computed Properties

Molecular Weight:489.6
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:489.28388597
Monoisotopic Mass:489.28388597
Topological Polar Surface Area:123
Heavy Atom Count:35
Complexity:764
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 3-methyl-2-[[(E)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pent-2-enoyl]amino]butanoate

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