(2S)-3-methyl-2-[[2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]butanoic acid
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![(2S)-3-methyl-2-[[2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/958e965118894f228be9d000061b06f3.png "(2S)-3-methyl-2-[[2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]butanoic acid")
(2S)-3-methyl-2-[[2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]butanoic acid
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CAS No:
956047-88-4
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Formula:
C23H26N2O7
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Chemical Name:
(2S)-3-methyl-2-[[2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]butanoic acid
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Synonyms:
ZINC2121919;STL529539;AKOS030503753;MCULE-3894131265;N-[(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-L-valine;956047-88-4
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CAS No:
(2S)-3-methyl-2-[[2-[[2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]butanoic acid Basic Attributes
442.5 g/mol
442.17400117 g/mol
Computed Properties
Molecular Weight:442.5
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:442.17400117
Monoisotopic Mass:442.17400117
Topological Polar Surface Area:135
Heavy Atom Count:32
Complexity:821
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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