(2S,3R)-3-methyl-2-[[2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]acetyl]amino]pentanoic acid
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![(2S,3R)-3-methyl-2-[[2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]acetyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/808bf9d6237a4236b76da45bd47b2cd4.png "(2S,3R)-3-methyl-2-[[2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]acetyl]amino]pentanoic acid")
(2S,3R)-3-methyl-2-[[2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]acetyl]amino]pentanoic acid
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CAS No:
956048-31-0
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Formula:
C26H30N2O7
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Chemical Name:
(2S,3R)-3-methyl-2-[[2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]acetyl]amino]pentanoic acid
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Synonyms:
ZINC2126006;STL531209;AKOS032428341;MCULE-7671662879;956048-31-0;N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]glycyl-L-isoleucine
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CAS No:
(2S,3R)-3-methyl-2-[[2-[[2-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]acetyl]amino]pentanoic acid Basic Attributes
482.5 g/mol
482.20530130 g/mol
Computed Properties
Molecular Weight:482.5
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:482.20530130
Monoisotopic Mass:482.20530130
Topological Polar Surface Area:135
Heavy Atom Count:35
Complexity:900
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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