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Home > Encyclopedia > Benzoic acid, 2-[4-[[(2S)-3-[4-[1-carboxy-2-(cyclopropylaMino)-2-oxoethoxy]phenyl]-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, 1-Methyl ester

Benzoic acid, 2-[4-[[(2S)-3-[4-[1-carboxy-2-(cyclopropylaMino)-2-oxoethoxy]phenyl]-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, 1-Methyl ester

Benzoic acid, 2-[4-[[(2S)-3-[4-[1-carboxy-2-(cyclopropylaMino)-2-oxoethoxy]phenyl]-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, 1-Methyl ester structure

Benzoic acid, 2-[4-[[(2S)-3-[4-[1-carboxy-2-(cyclopropylaMino)-2-oxoethoxy]phenyl]-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, 1-Methyl ester 

structure
  • CAS No:

    623563-74-6

  • Formula:

    C32H41N3O11

  • Chemical Name:

    Benzoic acid, 2-[4-[[(2S)-3-[4-[1-carboxy-2-(cyclopropylaMino)-2-oxoethoxy]phenyl]-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, 1-Methyl ester

  • Synonyms:

    CHEMBL105791;BDBM50132468;2-(4-{2-tert-Butoxycarbonylamino-3-[4-(carboxy-cyclopropylcarbamoyl-methoxy)-phenyl]-propionylamino}-butoxy)-6-hydroxy-benzoic acid methyl ester;Benzoic acid, 2-[4-[[(2S)-3-[4-[1-carboxy-2-(cyclopropylamino)-2-oxoethoxy]phenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl]amino]butoxy]-6-hydroxy-, 1-methyl ester

Benzoic acid, 2-[4-[[(2S)-3-[4-[1-carboxy-2-(cyclopropylaMino)-2-oxoethoxy]phenyl]-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, 1-Methyl ester Basic Attributes

643.68144

643.274

Characteristics

199

4.9

Computed Properties

Molecular Weight:643.7
XLogP3:4.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:19
Exact Mass:643.27410913
Monoisotopic Mass:643.27410913
Topological Polar Surface Area:199
Heavy Atom Count:46
Complexity:1040
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Benzoic acid, 2-[4-[[(2S)-3-[4-[1-carboxy-2-(cyclopropylaMino)-2-oxoethoxy]phenyl]-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, 1-Methyl ester

Benzoic acid, 2-[4-[[(2S)-3-[4-[1-carboxy-2-(cyclopropylaMino)-2-oxoethoxy]phenyl]-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxopropyl]aMino]butoxy]-6-hydroxy-, 1-Methyl ester

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