(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoyl]amino]butanoic acid
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![(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/531293a6025e4755a2497a24d3f54ac1.png "(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoyl]amino]butanoic acid")
(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoyl]amino]butanoic acid
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CAS No:
956050-26-3
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Formula:
C25H32N2O7
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Chemical Name:
(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoyl]amino]butanoic acid
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Synonyms:
ZINC2107435;STL461060;AKOS016376631;MCULE-8996062354;N-{[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-valyl-L-valine;(2S)-3-methyl-2-{[(2S)-3-methyl-2-({2-[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}amino)butanoyl]amino}butanoic acid;(S)-3-methyl-2-((S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)butanamido)butanoic acid;956050-26-3
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CAS No:
(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]butanoyl]amino]butanoic acid Basic Attributes
472.5 g/mol
472.22095136 g/mol
Computed Properties
Molecular Weight:472.5
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:472.22095136
Monoisotopic Mass:472.22095136
Topological Polar Surface Area:131
Heavy Atom Count:34
Complexity:835
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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