(2S)-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]-2-phenylacetic acid
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![(2S)-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]-2-phenylacetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dceda2ddbbea4798928f63f2109a7a7c.png "(2S)-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]-2-phenylacetic acid")
(2S)-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]-2-phenylacetic acid
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CAS No:
958984-58-2
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Formula:
C21H22N4O4
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Chemical Name:
(2S)-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]-2-phenylacetic acid
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Synonyms:
MLS000777368;CHEMBL1467334;HMS2754F08;ZINC2352780;EiM07-17597;STK716974;AKOS005533716;MCULE-1988056128;SMR000413771;(2S)-{[6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanoyl]amino}(phenyl)ethanoic acid;(2S)-2-({6-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]hexanoyl}amino)-2-phenylethanoic acid;(S)-[6-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-yl)-hexanoylamino]-phenyl-acetic acid;958984-58-2
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CAS No:
(2S)-2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]-2-phenylacetic acid Basic Attributes
394.4 g/mol
394.16410520 g/mol
Computed Properties
Molecular Weight:394.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:394.16410520
Monoisotopic Mass:394.16410520
Topological Polar Surface Area:111
Heavy Atom Count:29
Complexity:618
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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