(2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanedioic acid
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![(2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0c58805df52e44e9a80a1c061165df6b.png "(2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanedioic acid")
(2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanedioic acid
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CAS No:
1173663-80-3
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Formula:
C14H14N4O6
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Chemical Name:
(2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanedioic acid
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Synonyms:
ZINC2213833;STK716960;AKOS005533969;MCULE-9015344935;N-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-aspartic acid;(S)-2-(3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamido)succinic acid;1173663-80-3
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CAS No:
(2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]butanedioic acid Basic Attributes
334.28 g/mol
334.09133418 g/mol
Computed Properties
Molecular Weight:334.28
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:334.09133418
Monoisotopic Mass:334.09133418
Topological Polar Surface Area:149
Heavy Atom Count:24
Complexity:564
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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