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2-[methyl-[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]acetic acid

2-[methyl-[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]acetic acid structure

CAS No:
956705-73-0
Formula:
C21H31N3O6S
Chemical Name:
2-[methyl-[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]acetic acid
Synonyms:
ZINC2111300;STL548876;AKOS030501037;MCULE-1386076994;N-methyl-N-[(1-{N-[(4-methylphenyl)sulfonyl]-L-valyl}piperidin-4-yl)carbonyl]glycine;956705-73-0

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2-[methyl-[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]acetic acid Basic Attributes

Molecular Weight：

453.6 g/mol

Exact Mass：

453.19335689 g/mol

Characteristics

PSA：

133 Å²

Computed Properties

Molecular Weight:453.6
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:453.19335689
Monoisotopic Mass:453.19335689
Topological Polar Surface Area:133
Heavy Atom Count:31
Complexity:748
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[methyl-[1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carbonyl]amino]acetic acid

Basic Attributes
Characteristics
Computed Properties
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