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Home > Encyclopedia > (2S)-4-methylsulfanyl-2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid

(2S)-4-methylsulfanyl-2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid

(2S)-4-methylsulfanyl-2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid structure

(2S)-4-methylsulfanyl-2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid 

structure
  • CAS No:

    957001-21-7

  • Formula:

    C21H23NO6S

  • Chemical Name:

    (2S)-4-methylsulfanyl-2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid

  • Synonyms:

    ZINC2104045;STL529628;AKOS030499549;MCULE-2392420347;N-[(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-methionine;(S)-4-(methylthio)-2-(2-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)butanoic acid;957001-21-7

(2S)-4-methylsulfanyl-2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid Basic Attributes

417.5 g/mol

417.12460863 g/mol

Characteristics

131 Ų

Computed Properties

Molecular Weight:417.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:417.12460863
Monoisotopic Mass:417.12460863
Topological Polar Surface Area:131
Heavy Atom Count:29
Complexity:707
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (2S)-4-methylsulfanyl-2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]butanoic acid

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