(2S,3R)-3-methyl-2-[[2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]acetyl]amino]pentanoic acid
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![(2S,3R)-3-methyl-2-[[2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]acetyl]amino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5b69ef14b6b54a60aea5220130a46231.png "(2S,3R)-3-methyl-2-[[2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]acetyl]amino]pentanoic acid")
(2S,3R)-3-methyl-2-[[2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]acetyl]amino]pentanoic acid
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CAS No:
956043-89-3
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Formula:
C27H32N2O7
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Chemical Name:
(2S,3R)-3-methyl-2-[[2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]acetyl]amino]pentanoic acid
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Synonyms:
ZINC2135883;STL531419;AKOS032430357;MCULE-3931434633;956043-89-3;N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]glycyl-L-isoleucine
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CAS No:
(2S,3R)-3-methyl-2-[[2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]acetyl]amino]pentanoic acid Basic Attributes
496.6 g/mol
496.22095136 g/mol
Computed Properties
Molecular Weight:496.6
XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:496.22095136
Monoisotopic Mass:496.22095136
Topological Polar Surface Area:135
Heavy Atom Count:36
Complexity:916
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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