(2S)-4-(1-adamantyloxy)-2-amino-4-oxobutanoic acid
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(2S)-4-(1-adamantyloxy)-2-amino-4-oxobutanoic acid
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CAS No:
115545-59-0
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Formula:
C14H21NO4
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Chemical Name:
(2S)-4-(1-adamantyloxy)-2-amino-4-oxobutanoic acid
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Synonyms:
1-adamantylaspartate;beta-1-adamantylaspartic acid;H-Asp(O-1-Ada)-OH;1-Adamantylaspartate;(S)-4-(Adamantan-1-yloxy)-2-amino-4-oxobutanoic acid;H-Asp(O-1-ada)-OH;beta-1-Adamantylaspartic acid;SCHEMBL9794643;L-Aspartic acid, 4-tricyclo(3.3.1.13,7)dec-1-yl ester
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CAS No:
Computed Properties
Molecular Weight:267.32
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:267.14705815
Monoisotopic Mass:267.14705815
Topological Polar Surface Area:89.6
Heavy Atom Count:19
Complexity:365
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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