(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid
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![(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a90ce29a0aea42498dd8832154c4c891.png "(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid")
(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid
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CAS No:
956040-76-9
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Formula:
C25H29NO6
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Chemical Name:
(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid
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Synonyms:
MLS001214755;SMR000543474;CHEMBL1317220;BDBM94041;cid_1756351;HMS2877A15;ZINC2100504;STL529142;AKOS030498863;MCULE-5918884657;(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid;(2S)-2-[3-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methyl-valeric acid;(2S)-4-methyl-2-[[3-(4-methyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g][1]benzopyran-3-yl)-1-oxopropyl]amino]pentanoic acid;(2S)-4-methyl-2-[3-(4-methyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid;(S)-4-methyl-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)pentanoic acid;956040-76-9;N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-L-leucine
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CAS No:
(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid Basic Attributes
439.5 g/mol
439.19948764 g/mol
Computed Properties
Molecular Weight:439.5
XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:439.19948764
Monoisotopic Mass:439.19948764
Topological Polar Surface Area:106
Heavy Atom Count:32
Complexity:789
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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