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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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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CAS No:
623563-74-6
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Formula:
C32H41N3O11
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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
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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
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CAS No:
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
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
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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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