(2S)-3-(1H-indol-3-yl)-2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
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![(2S)-3-(1H-indol-3-yl)-2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5274f8d4deb743bb883f64d54d8721ad.png "(2S)-3-(1H-indol-3-yl)-2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid")
(2S)-3-(1H-indol-3-yl)-2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
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CAS No:
956045-46-8
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Formula:
C26H26N2O6
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Chemical Name:
(2S)-3-(1H-indol-3-yl)-2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
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Synonyms:
ZINC2096698;EiM07-28615;AKOS030498219;MCULE-7158740845;956045-46-8
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CAS No:
(2S)-3-(1H-indol-3-yl)-2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid Basic Attributes
462.5 g/mol
462.17908655 g/mol
Computed Properties
Molecular Weight:462.5
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:462.17908655
Monoisotopic Mass:462.17908655
Topological Polar Surface Area:118
Heavy Atom Count:34
Complexity:826
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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