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Home > Encyclopedia > (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid structure

(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid 

structure
  • CAS No:

    85911-04-2

  • Formula:

    C20H18ClNO7

  • Chemical Name:

    (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

  • Synonyms:

    DTXSID601006510;(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid;85911-04-2;N-[[(R)-5-Chloro-3,4-dihydro-8-hydroxy-3-(hydroxymethyl)-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-L-phenylalanine;N-{[5-Chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl](hydroxy)methylidene}phenylalanine

(2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid Basic Attributes

419.8 g/mol

419.0771796 g/mol

Characteristics

133 Ų

Computed Properties

Molecular Weight:419.8
XLogP3:3.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:419.0771796
Monoisotopic Mass:419.0771796
Topological Polar Surface Area:133
Heavy Atom Count:29
Complexity:624
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (2S)-2-[[(3R)-5-chloro-8-hydroxy-3-(hydroxymethyl)-1-oxo-3,4-dihydroisochromene-7-carbonyl]amino]-3-phenylpropanoic acid

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