(2S,3R)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
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![(2S,3R)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7f3336f1be964689b8dd34004ce1ff9d.png "(2S,3R)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid")
(2S,3R)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
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CAS No:
956040-70-3
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Formula:
C23H27NO6
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Chemical Name:
(2S,3R)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
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Synonyms:
ZINC2097179;STL537221;AKOS030498286;MCULE-9206488596;N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-L-isoleucine;(2S,3R)-3-methyl-2-(3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)pentanoic acid;956040-70-3
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CAS No:
(2S,3R)-3-methyl-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid Basic Attributes
413.5 g/mol
413.18383758 g/mol
Computed Properties
Molecular Weight:413.5
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:413.18383758
Monoisotopic Mass:413.18383758
Topological Polar Surface Area:106
Heavy Atom Count:30
Complexity:731
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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