(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenylpropanoic acid
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![(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/94dc14a7d76e40aab631a2c63022d1a0.png "(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenylpropanoic acid")
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenylpropanoic acid
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CAS No:
956742-42-0
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Formula:
C20H20N4O4
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Chemical Name:
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenylpropanoic acid
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Synonyms:
MLS000776923;CHEMBL1886428;HMS2754I08;ZINC2358342;STK716970;AKOS005533662;MCULE-3669434808;SMR000413321;N-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]-L-phenylalanine;(2S)-2-({4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]butanoyl}amino)-3-phenylpropanoic acid;(S)-2-(4-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamido)-3-phenylpropanoic acid;(S)-2-[4-(4-Oxo-4H-benzo[d][1,2,3]triazin-3-yl)-butyrylamino]-3-phenyl-propionic acid;956742-42-0
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CAS No:
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]-3-phenylpropanoic acid Basic Attributes
380.4 g/mol
380.14845513 g/mol
Computed Properties
Molecular Weight:380.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:380.14845513
Monoisotopic Mass:380.14845513
Topological Polar Surface Area:111
Heavy Atom Count:28
Complexity:603
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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