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Home > Encyclopedia > (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid

(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid

(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid structure

(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid 

structure
  • CAS No:

    163212-43-9

  • Formula:

    C25H34N6O6S

  • Chemical Name:

    (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid

  • Synonyms:

    L-Alanine,N-((4-methylphenyl)sulfonyl)-3-(((5,6,7,8-tetrahydro-4-oxo-5-(2-(4-piperidinyl)ethyl)-4H-pyrazolo(1,5-a)(1,4)diazepin-2-yl)carbonyl)amino);

(2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid Basic Attributes

546.63900

546.22605400 g/mol

DTXSID30167534

Characteristics

174.60000

2.90180

1.48g/cm3

1.686

Drug Information

2-((p-toluenesulfonyl)amino)-3-(((5,6,7,8-tetrahydro-4-oxo-5-(2-(piperidin-4-yl)ethyl)-4H-pyrazolo(1,5-a)(1,4)diazepin-2-yl)carbonyl)amino)propionic acid

Computed Properties

Molecular Weight:546.6
XLogP3:-1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:546.22605400
Monoisotopic Mass:546.22605400
Topological Polar Surface Area:171
Heavy Atom Count:38
Complexity:945
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[4-oxo-5-(2-piperidin-4-ylethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoic acid

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