(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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![(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/79c15ba9cc6d4c3fb022310a34200035.png "(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid")
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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CAS No:
956048-57-0
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Formula:
C28H24N4O6
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Chemical Name:
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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Synonyms:
ZINC9319067;STL530889;AKOS032429632;AKOS037495914;MCULE-1323847605;N-[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanoyl]-L-tyrosine;(S)-2-((S)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamido)-3-(4-hydroxyphenyl)propanoic acid;956048-57-0
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CAS No:
(2S)-2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Basic Attributes
512.5 g/mol
512.16958450 g/mol
Computed Properties
Molecular Weight:512.5
XLogP3:2.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:512.16958450
Monoisotopic Mass:512.16958450
Topological Polar Surface Area:152
Heavy Atom Count:38
Complexity:906
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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