(2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid
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![(2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6ef3ae15282e4bb58e2d95b4f8b4c2a6.png "(2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid")
(2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid
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CAS No:
1173682-19-3
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Formula:
C21H31N3O6S
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Chemical Name:
(2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid
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Synonyms:
ZINC2432410;AKOS032390193;MCULE-1496557108;1173682-19-3
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CAS No:
(2S)-3-methyl-2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carbonyl]amino]butanoic acid Basic Attributes
453.6 g/mol
453.19335689 g/mol
Computed Properties
Molecular Weight:453.6
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:453.19335689
Monoisotopic Mass:453.19335689
Topological Polar Surface Area:141
Heavy Atom Count:31
Complexity:748
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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