(2S,3R)-2-[[2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid
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![(2S,3R)-2-[[2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f98440f510584556b13ff78d3975e410.png "(2S,3R)-2-[[2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid")
(2S,3R)-2-[[2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid
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CAS No:
956042-79-8
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Formula:
C27H34N2O7
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Chemical Name:
(2S,3R)-2-[[2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2115521;STL531654;AKOS030502211;MCULE-3003853450;N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-L-isoleucine;(2S,3R)-2-(2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)acetamido)-3-methylpentanoic acid;956042-79-8
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CAS No:
(2S,3R)-2-[[2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]acetyl]amino]-3-methylpentanoic acid Basic Attributes
498.6 g/mol
498.23660143 g/mol
Computed Properties
Molecular Weight:498.6
XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:498.23660143
Monoisotopic Mass:498.23660143
Topological Polar Surface Area:135
Heavy Atom Count:36
Complexity:922
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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