(2S)-3-methyl-2-[[2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid
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![(2S)-3-methyl-2-[[2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/27ea369fd05c4198b6601e561938a5e9.png "(2S)-3-methyl-2-[[2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid")
(2S)-3-methyl-2-[[2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid
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CAS No:
956691-71-7
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Formula:
C23H28N2O7
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Chemical Name:
(2S)-3-methyl-2-[[2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid
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Synonyms:
ZINC2123542;AKOS030504144;MCULE-5382381592;(S)-3-methyl-2-(2-(2-((3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy)acetamido)acetamido)butanoic acid;956691-71-7
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CAS No:
(2S)-3-methyl-2-[[2-[[2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetyl]amino]acetyl]amino]butanoic acid Basic Attributes
444.5 g/mol
444.18965124 g/mol
Computed Properties
Molecular Weight:444.5
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:444.18965124
Monoisotopic Mass:444.18965124
Topological Polar Surface Area:131
Heavy Atom Count:32
Complexity:791
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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