(2S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid
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![(2S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9fe9423140a54620915de993c65408d0.png "(2S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid")
(2S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid
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CAS No:
956047-23-7
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Formula:
C21H24N2O7
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Chemical Name:
(2S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid
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Synonyms:
ZINC2115739;AKOS030502247;MCULE-9706586873;(S)-3-methyl-2-(2-(2-((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)acetamido)acetamido)butanoic acid;956047-23-7
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CAS No:
(2S)-3-methyl-2-[[2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid Basic Attributes
416.4 g/mol
416.15835111 g/mol
Computed Properties
Molecular Weight:416.4
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:416.15835111
Monoisotopic Mass:416.15835111
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:746
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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